Sharon Hammes-Schiffer

2026 Capturing nuclear quantum effects in high-pressure superconducting hydrides and ice with nuclear-electronic orbital theory Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 1673–1675 · CV · published

1673418. L. E. Smith, P. Settembri, A. Cucciari, L. Boeri, G. Profeta, and S. Hammes-Schiffer,1674·Capturing nuclear quantum effects in high-pressure superconducting hydrides and ice with1675nuclear-electronic orbital theory,· Proc. Nat. Acad. Sci. USA 123, e2605545123 (2026).

Institution fields

Peer reviewed: yes
First author: Smith
Co-authors: L. E. Smith; P. Settembri; A. Cucciari; L. Boeri; G. Profeta; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Capturing nuclear quantum effects in high-pressure superconducting hydrides and ice with nuclear-electronic orbital theory
year cv	2026
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences
kind cv	article
DOI crossref	10.1073/pnas.2605545123
first author cv	Smith

Citations

OpenAlex: none
Scholar: none
DOI: 10.1073/pnas.2605545123

Match decisions

No decision recorded; a single record.

2026 Comparative simulations of conformational flexibility during radical transport in ribonucleotide reductase Biochemistry article journal CV OA GS

CV span

lines 1695–1697 · CV · published

1695426. M. Tremblay and S. Hammes-Schiffer, ·Comparative simulations of conformational1696flexibility during radical transport in ribonucleotide reductase,· Biochemistry (in press).1697DOI: 10.1021/acs.biochem.6c00487

Institution fields

Peer reviewed: yes
First author: Tremblay
Co-authors: M. Tremblay; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Comparative simulations of conformational flexibility during radical transport in ribonucleotide reductase
year crossref		2026
venue crossref	Biochemistry
kind cv	article
DOI cv	10.1021/acs.biochem.6c00487
first author cv	Tremblay

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.biochem.6c00487

Match decisions

No decision recorded; a single record.

2026 Concerted proton-electron transfer minimizes substituent effects on adsorbed phthalocyanine electrocatalysis Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1663–1665 · CV · published

1663414. V. Mannava, L. E. Smith, J. G. Gardner, S. Hammes-Schiffer, and Y. Surendranath,1664·Concerted proton-electron transfer minimizes substituent effects on adsorbed phthalocyanine1665electrocatalysis,· J. Am. Chem. Soc. 148, 6939-6950 (2026).

Institution fields

Peer reviewed: yes
First author: Mannava
Co-authors: V. Mannava; L. E. Smith; J. G. Gardner; S. Hammes-Schiffer; Y. Surendranath
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Concerted proton-electron transfer minimizes substituent effects on adsorbed phthalocyanine electrocatalysis
year cv	2026
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.5c16528
first author cv	Mannava

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.5c16528

Match decisions

No decision recorded; a single record.

2026 Conformationally gated multisite proton-coupled electron transfer in the ribonucleotide reductase · subunit Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 1650–1652 · CV · published

1650410. J. Deng and S. Hammes-Schiffer, ·Conformationally gated multisite proton-coupled1651electron transfer in the ribonucleotide reductase · subunit,· Proc. Nat. Acad. Sci. USA 123,1652e2535102123 (2026).

Institution fields

Peer reviewed: yes
First author: Deng
Co-authors: J. Deng; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Conformationally gated multisite proton-coupled electron transfer in the ribonucleotide reductase · subunit
year cv	2026
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences
kind cv	article
DOI crossref	10.1073/pnas.2535102123
first author cv	Deng

Citations

OpenAlex: none
Scholar: none
DOI: 10.1073/pnas.2535102123

Match decisions

No decision recorded; a single record.

2026 Efficient and robust optimization of nuclear and electronic orbitals within the nuclear Hartree product representation The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1660–1662 · CV · published

1660413. M. Chow, E. Paenurk, and S. Hammes-Schiffer, ·Efficient and robust optimization of1661nuclear and electronic orbitals within the nuclear Hartree product representation,· J. Chem.1662Phys. 164, 074103 (2026).

Institution fields

Peer reviewed: yes
First author: Chow
Co-authors: M. Chow; E. Paenurk; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Efficient and robust optimization of nuclear and electronic orbitals within the nuclear Hartree product representation
year cv	2026
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0308634
first author cv	Chow

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0308634

Match decisions

No decision recorded; a single record.

2026 Electrochemical proton-coupled electron transfer at a metal-semiconductor-solution interface ACS Catalysis article journal CV OA GS

CV span

lines 1653–1655 · CV · published

1653411. K. Cui, K. S. Westendorff, Y. Román-Leshkov, Y. Surendranath, and S. Hammes-Schiffer,1654·Electrochemical proton-coupled electron transfer at a metal-semiconductor-solution1655interface,· ACS Catal. 16, 2234-2243 (2026).

Institution fields

Peer reviewed: yes
First author: Cui
Co-authors: K. Cui; K. S. Westendorff; Y. Román-Leshkov; Y. Surendranath; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Electrochemical proton-coupled electron transfer at a metal-semiconductor-solution interface
year cv	2026
venue crossref	ACS Catal.	ACS Catalysis
kind cv	article
DOI crossref	10.1021/acscatal.5c06789
first author cv	Cui

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acscatal.5c06789

Match decisions

No decision recorded; a single record.

2026 Error-mitigation enabled multicomponent quantum simulations beyond the Born-Oppenheimer approximation Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1656–1659 · CV · published

1656412. D. G. A. Cabral, B. Allen, F. Pavo·evi·, S. Hammes-Schiffer, P. Diez-Valle, J. S. Baker,1657G. Saxena, T. H. Kyaw, and V. S. Batista, ·Error-mitigation enabled multicomponent quantum1658simulations beyond the Born-Oppenheimer approximation,· J. Chem. Theory Comput. 22, 1760-17691659(2026).

Institution fields

Peer reviewed: yes
First author: Cabral
Co-authors: D. G. A. Cabral; B. Allen; F. Pavo·evi·; S. Hammes-Schiffer; P. Diez-Valle; J. S. Baker; G. Saxena; T. H. Kyaw; V. S. Batista
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Error-mitigation enabled multicomponent quantum simulations beyond the Born-Oppenheimer approximation
year cv	2026
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.5c01911
first author cv	Cabral

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.5c01911

Match decisions

No decision recorded; a single record.

2026 Extended Lagrangian molecular dynamics on vibronic surfaces in the nuclear-electronic orbital framework The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1681–1683 · CV · published

1681421. J. A. Dickinson, M. Chow, E. Paenurk, and S. Hammes-Schiffer, ·Extended Lagrangian1682molecular dynamics on vibronic surfaces in the nuclear-electronic orbital framework,· J.1683Chem. Phys. 164, 234108 (2026).

Institution fields

Peer reviewed: yes
First author: Dickinson
Co-authors: J. A. Dickinson; M. Chow; E. Paenurk; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Extended Lagrangian molecular dynamics on vibronic surfaces in the nuclear-electronic orbital framework
year cv	2026
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0332811
first author cv	Dickinson

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0332811

Match decisions

No decision recorded; a single record.

2026 Facet modulation of interfacial water structure tunes electrocatalytic hydrogen reaction kinetics Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1701–1704 · CV · published

1701428. V. Briega-Martos, W. Li, L. E. Smith, N. G. Rey, H. Zhang, R. Guzman-Soriano, R. Rizo,1702E. Herrero, V. Climent, S. Hammes-Schiffer, and Y. Yang, ·Facet modulation of interfacial1703water structure tunes electrocatalytic hydrogen reaction kinetics,· J. Am. Chem. Soc. (in1704press).

Institution fields

Peer reviewed: yes
First author: Briega-Martos
Co-authors: V. Briega-Martos; W. Li; L. E. Smith; N. G. Rey; H. Zhang; R. Guzman-Soriano; R. Rizo; E. Herrero; V. Climent; S. Hammes-Schiffer; Y. Yang
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Facet modulation of interfacial water structure tunes electrocatalytic hydrogen reaction kinetics
year crossref		2026
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.6c11313
first author cv	Briega-Martos

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.6c11313

Match decisions

No decision recorded; a single record.

2026 First hydration shell integrity: Key to protein stability Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1689–1691 · CV · published

1689424. Z. Wang, M. Tremblay, N. Hatzis-Schoch, T. Zhu, S. Hammes-Schiffer, and E. C. Y. Yan,1690·First hydration shell integrity: Key to protein stability,· J. Am. Chem. Soc. (in press).1691DOI: 10.1021/jacs.6c09682

Institution fields

Peer reviewed: yes
First author: Wang
Co-authors: Z. Wang; M. Tremblay; N. Hatzis-Schoch; T. Zhu; S. Hammes-Schiffer; E. C. Y. Yan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	First hydration shell integrity: Key to protein stability	First Hydration Shell Integrity: Key to Protein Stability
year crossref		2026	2026
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI cv	10.1021/jacs.6c09682	10.1021/jacs.6c09682
first author openalex	Wang	Wang

Citations

OpenAlex: 0
Scholar: none
DOI: 10.1021/jacs.6c09682
OpenAlex: W7202358580

Match decisions

No decision recorded; a single record.

2026 General expression for vibronic coupling in proton-coupled energy transfer Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1676–1677 · CV · published

1676419. K. Cui and S. Hammes-Schiffer, ·General expression for vibronic coupling in1677proton-coupled energy transfer,· J. Chem. Theory Comput. 22, 5674-5685 (2026).

Institution fields

Peer reviewed: yes
First author: Cui
Co-authors: K. Cui; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	General expression for vibronic coupling in proton-coupled energy transfer
year cv	2026
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.6c00443
first author cv	Cui

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.6c00443

Match decisions

No decision recorded; a single record.

2026 Initialization with a Fock state cavity mode in real-time nuclear-electronic orbital polariton dynamics The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1671–1672 · CV · published

1671417. M. F. Welman and S. Hammes-Schiffer, ·Initialization with a Fock state cavity mode in1672real-time nuclear-electronic orbital polariton dynamics,· J. Chem. Phys. 164, 144122 (2026).

Institution fields

Peer reviewed: yes
First author: Welman
Co-authors: M. F. Welman; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Initialization with a Fock state cavity mode in real-time nuclear-electronic orbital polariton dynamics
year cv	2026
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0326408
first author cv	Welman

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0326408

Match decisions

No decision recorded; a single record.

2026 Nuclear·electronic orbital general rate theory: Predicting hydrogen kinetic isotope effects in the deep tunneling regime Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1692–1694 · CV · published

1692425. E. Paenurk, J. M. Yoo, and S. Hammes-Schiffer, ·Nuclear·electronic orbital general rate1693theory: Predicting hydrogen kinetic isotope effects in the deep tunneling regime,· J. Chem.1694Theory Comput. (in press). DOI: 10.1021/acs.jctc.6c01175

Institution fields

Peer reviewed: yes
First author: Paenurk
Co-authors: E. Paenurk; J. M. Yoo; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear·electronic orbital general rate theory: Predicting hydrogen kinetic isotope effects in the deep tunneling regime
year crossref		2026
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI cv	10.1021/acs.jctc.6c01175
first author cv	Paenurk

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.6c01175

Match decisions

No decision recorded; a single record.

2026 Nuclear-electronic orbital method at scale: A two-stage hybrid-layout distributed Cholesky decomposition approach APL Computational Physics article CV OA GS

CV span

lines 1678–1680 · CV · published

1678420. A. Liu, T. Zhang, E. Lambros, S. Hammes-Schiffer, and X. Li, ·Nuclear-electronic orbital1679method at scale: A two-stage hybrid-layout distributed Cholesky decomposition approach,· APL1680Comp. Phys. 2, 026109 (2026).

Institution fields

Peer reviewed: yes
First author: Liu
Co-authors: A. Liu; T. Zhang; E. Lambros; S. Hammes-Schiffer; X. Li
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital method at scale: A two-stage hybrid-layout distributed Cholesky decomposition approach
year cv	2026
venue crossref	APL Comp. Phys.	APL Computational Physics
kind cv	article
DOI crossref	10.1063/5.0318199
first author cv	Liu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0318199

Match decisions

No decision recorded; a single record.

2026 Nuclear-electronic orbital quasiclassical trajectory method for vibrational spectroscopy The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1666–1668 · CV · published

1666415. C. Aieta, S. M. Garner, A. Liu, X. Li, and S. Hammes-Schiffer, ·Nuclear-electronic1667orbital quasiclassical trajectory method for vibrational spectroscopy,· J. Chem. Phys. 164,1668144123 (2026).

Institution fields

Peer reviewed: yes
First author: Aieta
Co-authors: C. Aieta; S. M. Garner; A. Liu; X. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital quasiclassical trajectory method for vibrational spectroscopy
year cv	2026
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0317500
first author cv	Aieta

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0317500

Match decisions

No decision recorded; a single record.

2026 Nuclear-electronic orbital second-order coupled cluster for excited states The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1648–1649 · CV · published

1648409. J. H. Fetherolf, F. Pavo·evi·, and S. Hammes-Schiffer, ·Nuclear-electronic orbital1649second-order coupled cluster for excited states,· J. Chem. Phys. 164, 044120 (2026).

Institution fields

Peer reviewed: yes
First author: Fetherolf
Co-authors: J. H. Fetherolf; F. Pavo·evi·; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital second-order coupled cluster for excited states
year cv	2026
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0303065
first author cv	Fetherolf

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0303065

Match decisions

No decision recorded; a single record.

2026 Nuclear-electronic quantum dynamics in a plasmonic nanocavity ACS Photonics article journal CV OA GS

CV span

lines 1684–1685 · CV · published

1684422. J. H. Fetherolf, T. E. Li, and S. Hammes-Schiffer, ·Nuclear-electronic quantum dynamics1685in a plasmonic nanocavity,· ACS Photonics 13, 4116-4128 (2026).

Institution fields

Peer reviewed: yes
First author: Fetherolf
Co-authors: J. H. Fetherolf; T. E. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Nuclear-electronic quantum dynamics in a plasmonic nanocavity
year cv	2026
venue crossref	ACS Photonics
kind cv	article
DOI crossref	10.1021/acsphotonics.5c03076
first author cv	Fetherolf

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acsphotonics.5c03076

Match decisions

No decision recorded; a single record.

2026 Protein·solvent interface controls proton-coupled reactivity in cryptochrome 4a Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1686–1688 · CV · published

1686423. J. Luo, M. Tremblay, J. Hungerland, I. Solov·yov, J. E. Subotnik, and S.1687Hammes-Schiffer, ·Protein·solvent interface controls proton-coupled reactivity in1688cryptochrome 4a,· J. Am. Chem. Soc. 148, 29641-29648 (2026).

Institution fields

Peer reviewed: yes
First author: Luo
Co-authors: J. Luo; M. Tremblay; J. Hungerland; I. Solov·yov; J. E. Subotnik; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Protein·solvent interface controls proton-coupled reactivity in cryptochrome 4a
year cv	2026
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.6c09345
first author cv	Luo

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.6c09345

Match decisions

No decision recorded; a single record.

2026 Proton-coupled electron and energy transfer in molecular triads Accounts of Chemical Research article journal CV OA GS

CV span

lines 1669–1670 · CV · published

1669416. S. Hammes-Schiffer, J. M. Mayer, and L. Hammarström, ·Proton-coupled electron and energy1670transfer in molecular triads,· Acc. Chem. Res. 59, 1536-1545 (2026).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; J. M. Mayer; L. Hammarström
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Proton-coupled electron and energy transfer in molecular triads
year cv	2026
venue crossref	Acc. Chem. Res.	Accounts of Chemical Research
kind cv	article
DOI crossref	10.1021/acs.accounts.6c00068
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.accounts.6c00068

Match decisions

No decision recorded; a single record.

2026 Real-time nuclear·electronic orbital time-dependent density functional theory with a constrained traveling proton basis The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1698–1700 · CV · published

1698427. N. J. Boyer and S. Hammes-Schiffer, ·Real-time nuclear·electronic orbital time-dependent1699density functional theory with a constrained traveling proton basis,· J. Chem. Phys. (in1700press).

Institution fields

Peer reviewed: yes
First author: Boyer
Co-authors: N. J. Boyer; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Real-time nuclear·electronic orbital time-dependent density functional theory with a constrained traveling proton basis
year crossref		2026
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0345226
first author cv	Boyer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0345226

Match decisions

No decision recorded; a single record.

2025 Computing hydrogen tunneling splittings with nuclear-electronic orbital multireference configuration interaction The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1622–1624 · CV · published

1622400. R. J. Stein, C. L. Malbon, and S. Hammes-Schiffer, ·Computing hydrogen tunneling1623splittings with nuclear-electronic orbital multireference configuration interaction,· J.1624Phys. Chem. Lett. 16, 7718-7724 (2025).

Institution fields

Peer reviewed: yes
First author: Stein
Co-authors: R. J. Stein; C. L. Malbon; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Computing hydrogen tunneling splittings with nuclear-electronic orbital multireference configuration interaction
year cv	2025
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.5c01657
first author cv	Stein

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.5c01657

Match decisions

No decision recorded; a single record.

2025 Consequences of Kramers-Kronig relations on Kleinman antisymmetric spectral observables: Chiral-specific sum-frequency generation spectroscopy The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1638–1641 · CV · published

1638406. M. Tremblay, T. Santiago, K. Olesen, S. Hammes-Schiffer, E. C. Y. Yan, and G. J.1639Simpson, ·Consequences of Kramers-Kronig relations on Kleinman antisymmetric spectral1640observables: Chiral-specific sum-frequency generation spectroscopy,· J. Chem. Phys. 163,1641214711 (2025).

Institution fields

Peer reviewed: yes
First author: Tremblay
Co-authors: M. Tremblay; T. Santiago; K. Olesen; S. Hammes-Schiffer; E. C. Y. Yan; G. J. Simpson
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Consequences of Kramers-Kronig relations on Kleinman antisymmetric spectral observables: Chiral-specific sum-frequency generation spectroscopy	Consequences of Kramers-Kronig Relations on Kleinman Antisymmetric Spectral Observables: Chiral-Specific Sum-Frequency Generation SpectroscopyConsequences of Kramers–Kronig relations on Kleinman antisymmetric spectral observables: Chiral-specific sum frequency generation spectroscopy
year cv	2025	20252025
venue crossref	J. Chem. Phys.	ChemRxivThe Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	working_paperarticle
DOI crossref	10.1063/5.0290341	10.26434/chemrxiv-2025-b32bl10.1063/5.0290341
preprint DOI openalex		10.26434/chemrxiv-2025-b32bl
first author openalex	Tremblay	TremblayTremblay

Also recorded as

W4412470473 (DOI 10.26434/chemrxiv-2025-b32bl) · preprint · 2025 Consequences of Kramers-Kronig Relations on Kleinman Antisymmetric Spectral Observables: Chiral-Specific Sum-Frequency Generation Spectroscopy

Citations

OpenAlex: 0
Scholar: none
DOI: 10.1063/5.0290341
OpenAlex: W4416913230

Match decisions

No decision recorded; a single record.

2025 Drug binding disrupts chiral water structures in the DNA first hydration shell Chemical Science article journal CV OA GS

CV span

lines 1603–1605 · CV · published

1603393. T. Santiago, D. Konstantinovsky, M. Tremblay, E. A. Perets, S. Hammes-Schiffer, and E.1604C. Y. Yan, ·Drug binding disrupts chiral water structures in the DNA first hydration shell,·1605Chem. Sci. 16, 6853-6861 (2025).

Institution fields

Peer reviewed: yes
First author: Santiago
Co-authors: T. Santiago; D. Konstantinovsky; M. Tremblay; E. A. Perets; S. Hammes-Schiffer; E. C. Y. Yan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Drug binding disrupts chiral water structures in the DNA first hydration shell	Drug binding disrupts chiral water structures in the DNA first hydration shell
year cv	2025	2025
venue crossref	Chem. Sci.	Chemical Science	Chemical Science
kind cv	article	article
DOI crossref	10.1039/d4sc08372e	10.1039/d4sc08372e
first author openalex	Santiago	Santiago

Citations

OpenAlex: 7
Scholar: none
DOI: 10.1039/d4sc08372e
OpenAlex: W4408403238

Match decisions

No decision recorded; a single record.

2025 Energy conservation in real-time nuclear-electronic orbital Ehrenfest dynamics The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1606–1607 · CV · published

1606394. T. E. Li, X. Li, and S. Hammes-Schiffer, ·Energy conservation in real-time1607nuclear-electronic orbital Ehrenfest dynamics,· J. Chem. Phys. 162, 144106 (2025).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; X. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Energy conservation in real-time nuclear-electronic orbital Ehrenfest dynamics
year cv	2025
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0255984
first author cv	Li

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0255984

Match decisions

No decision recorded; a single record.

2025 Explaining kinetic isotope effects in proton-coupled electron transfer reactions Accounts of Chemical Research article journal CV OA GS

CV span

lines 1611–1612 · CV · published

1611396. S. Hammes-Schiffer, ·Explaining kinetic isotope effects in proton-coupled electron1612transfer reactions,· Acc. Chem. Res. 58, 1335-1344 (2025).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Explaining kinetic isotope effects in proton-coupled electron transfer reactions	Explaining kinetic isotope effects in proton-coupled electron transfer reactions
year cv	2025	2025
venue crossref	Acc. Chem. Res.	Accounts of chemical research	Accounts of Chemical Research
kind cv	article	other
DOI crossref	10.1021/acs.accounts.5c00119
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 69
DOI: 10.1021/acs.accounts.5c00119

Match decisions

fingerprint merged · 1.00 · Run 18

2025 Hydrogen tunneling and conformational motions in nonadiabatic proton-coupled electron transfer between interfacial tyrosines in ribonucleotide reductase Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1597–1599 · CV · published

1597391. J. Zhong, Q. Zhu, A. V. Soudackov, and S. Hammes-Schiffer, ·Hydrogen tunneling and1598conformational motions in nonadiabatic proton-coupled electron transfer between interfacial1599tyrosines in ribonucleotide reductase,· J. Am. Chem. Soc. 147, 4459-4468 (2025).

Institution fields

Peer reviewed: yes
First author: Zhong
Co-authors: J. Zhong; Q. Zhu; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Hydrogen tunneling and conformational motions in nonadiabatic proton-coupled electron transfer between interfacial tyrosines in ribonucleotide reductase
year cv	2025
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.4c15756
first author cv	Zhong

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.4c15756

Match decisions

No decision recorded; a single record.

2025 Iridium polypyridyl carboxylates as excited-state PCET catalysts for the functionalization of unactivated C-H bonds Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1616–1619 · CV · published

1616398. D. A. Granados, Y. E. Du, S. J. Andersson, A. Cirincione-Lynch, K. Cui, A. Reinhold, P.1617D. Jeffrey, G. D. Scholes, S. Hammes-Schiffer, and R. R. Knowles, ·Iridium polypyridyl1618carboxylates as excited-state PCET catalysts for the functionalization of unactivated C-H1619bonds,· J. Am. Chem. Soc. 147, 20703-20715 (2025).

Institution fields

Peer reviewed: yes
First author: Granados
Co-authors: D. A. Granados; Y. E. Du; S. J. Andersson; A. Cirincione-Lynch; K. Cui; A. Reinhold; P. D. Jeffrey; G. D. Scholes; S. Hammes-Schiffer; R. R. Knowles
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Iridium polypyridyl carboxylates as excited-state PCET catalysts for the functionalization of unactivated C-H bonds	Iridium Polypyridyl Carboxylates as Excited-State PCET Catalysts for the Functionalization of Unactivated C–H Bonds
year cv	2025	2025
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI crossref	10.1021/jacs.5c04000	10.1021/jacs.5c04000
first author openalex	Granados	Granados

Citations

OpenAlex: 19
Scholar: 18
DOI: 10.1021/jacs.5c04000
OpenAlex: W4411180393

Match decisions

No decision recorded; a single record.

2025 Isotope Effects for Water at Pt(111) Computed with Nuclear-Electronic Orbital Theory The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1645–1647 · CV · published

1645408. L. E. Smith, V. Briega-Martos, Y. Yang, and S. Hammes-Schiffer, ·Isotope Effects for1646Water at Pt(111) Computed with Nuclear-Electronic Orbital Theory,· J. Phys. Chem. Lett. 16,164713054-13061 (2025).

Institution fields

Peer reviewed: yes
First author: Smith
Co-authors: L. E. Smith; V. Briega-Martos; Y. Yang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Isotope Effects for Water at Pt(111) Computed with Nuclear-Electronic Orbital Theory
year cv	2025
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.5c03144
first author cv	Smith

Citations

OpenAlex: none
Scholar: 6
DOI: 10.1021/acs.jpclett.5c03144

Match decisions

No decision recorded; a single record.

2025 Light-matter entanglement in real-time nuclear-electronic orbital polariton dynamics Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1625–1626 · CV · published

1625401. M. F. Welman, T. E. Li, and S. Hammes-Schiffer, ·Light-matter entanglement in real-time1626nuclear-electronic orbital polariton dynamics,· J. Chem. Theory Comput. 21, 8291-8307 (2025).

Institution fields

Peer reviewed: yes
First author: Welman
Co-authors: M. F. Welman; T. E. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Light-matter entanglement in real-time nuclear-electronic orbital polariton dynamics
year cv	2025
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.5c00911
first author cv	Welman

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.5c00911

Match decisions

No decision recorded; a single record.

2025 Nuclear-electronic orbital multireference configuration interaction for ground and excited vibronic states and fundamental insights into multicomponent basis sets Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1608–1610 · CV · published

1608395. C. L. Malbon and S. Hammes-Schiffer, ·Nuclear-electronic orbital multireference1609configuration interaction for ground and excited vibronic states and fundamental insights1610into multicomponent basis sets,· J. Chem. Theory Comput. 21, 3968-3980 (2025).

Institution fields

Peer reviewed: yes
First author: Malbon
Co-authors: C. L. Malbon; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital multireference configuration interaction for ground and excited vibronic states and fundamental insights into multicomponent basis sets
year cv	2025
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.5c00042
first author cv	Malbon

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.5c00042

Match decisions

No decision recorded; a single record.

2025 Protein and solvent reorganization drives radical pair stability in avian cryptochrome 4a Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1635–1637 · CV · published

1635405. J. Luo, J. Hungerland, I. A. Solv·yov, J. E. Subotnik, and S. Hammes-Schiffer, ·Protein1636and solvent reorganization drives radical pair stability in avian cryptochrome 4a,· J. Am.1637Chem. Soc. 147, 43934-43945 (2025).

Institution fields

Peer reviewed: yes
First author: Luo
Co-authors: J. Luo; J. Hungerland; I. A. Solv·yov; J. E. Subotnik; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Protein and solvent reorganization drives radical pair stability in avian cryptochrome 4a
year cv	2025
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.5c15726
first author cv	Luo

Citations

OpenAlex: none
Scholar: 15
DOI: 10.1021/jacs.5c15726

Match decisions

No decision recorded; a single record.

2025 Reliable pKa prediction through efficient incorporation of anharmonicity within the nuclear-electronic orbital framework Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1632–1634 · CV · published

1632404. J. M. Yoo, M. Chow, E. Paenurk, and S. Hammes-Schiffer, ·Reliable pKa prediction through1633efficient incorporation of anharmonicity within the nuclear-electronic orbital framework,· J.1634Am. Chem. Soc. 147, 36059·36065 (2025).

Institution fields

Peer reviewed: yes
First author: Yoo
Co-authors: J. M. Yoo; M. Chow; E. Paenurk; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Reliable pKa prediction through efficient incorporation of anharmonicity within the nuclear-electronic orbital framework
year cv	2025
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.5c11332
first author cv	Yoo

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.5c11332

Match decisions

No decision recorded; a single record.

2025 Simulating magnetic field-driven real-time quantum dynamics using London nuclear-electronic orbital approach Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1613–1615 · CV · published

1613397. D. Tang, A. Liu, T. Culpitt, S. Hammes-Schiffer, and X. Li, ·Simulating magnetic1614field-driven real-time quantum dynamics using London nuclear-electronic orbital approach,· J.1615Chem. Theory Comput. 21, 4357-4364 (2025).

Institution fields

Peer reviewed: yes
First author: Tang
Co-authors: D. Tang; A. Liu; T. Culpitt; S. Hammes-Schiffer; X. Li
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Simulating magnetic field-driven real-time quantum dynamics using London nuclear-electronic orbital approach
year cv	2025
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.5c00273
first author cv	Tang

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.5c00273

Match decisions

No decision recorded; a single record.

2025 Simulation of vibronic strong coupling and cavity-modified hydrogen tunneling dynamics The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1630–1631 · CV · published

1630403. S. M. Garner, X. Li, and S. Hammes-Schiffer, ·Simulation of vibronic strong coupling and1631cavity-modified hydrogen tunneling dynamics,· J. Chem. Phys. 163, 134113 (2025).

Institution fields

Peer reviewed: yes
First author: Garner
Co-authors: S. M. Garner; X. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Simulation of vibronic strong coupling and cavity-modified hydrogen tunneling dynamics
year cv	2025
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0286132
first author cv	Garner

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0286132

Match decisions

No decision recorded; a single record.

2025 Theoretical insight into proton-coupled energy transfer in an anthracene-phenol-pyridine triad Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1620–1621 · CV · published

1620399. K. Cui and S. Hammes-Schiffer, ·Theoretical insight into proton-coupled energy transfer1621in an anthracene-phenol-pyridine triad,· J. Am. Chem. Soc. 147, 21708-21717 (2025).

Institution fields

Peer reviewed: yes
First author: Cui
Co-authors: K. Cui; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Theoretical insight into proton-coupled energy transfer in an anthracene-phenol-pyridine triad
year cv	2025
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.5c03866
first author cv	Cui

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.5c03866

Match decisions

No decision recorded; a single record.

2025 Time-resolved vibronic spectra with nuclear-electronic orbital time-dependent configuration interaction The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1600–1602 · CV · published

1600392. S. M. Garner, S. Upadhyay, X. Li, and S. Hammes-Schiffer, ·Time-resolved vibronic1601spectra with nuclear-electronic orbital time-dependent configuration interaction,· J. Chem.1602Phys. 162, 044108 (2025).

Institution fields

Peer reviewed: yes
First author: Garner
Co-authors: S. M. Garner; S. Upadhyay; X. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Time-resolved vibronic spectra with nuclear-electronic orbital time-dependent configuration interaction
year cv	2025
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0243394
first author cv	Garner

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0243394

Match decisions

No decision recorded; a single record.

2025 Triple excitations in nuclear-electronic orbital coupled cluster theory for multiple quantum protons The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1642–1644 · CV · published

1642407. R. J. Goudy, F. Pavo·evi·, and S. Hammes-Schiffer, ·Triple excitations in1643nuclear-electronic orbital coupled cluster theory for multiple quantum protons,· J. Chem.1644Phys. 163, 224119 (2025).

Institution fields

Peer reviewed: yes
First author: Goudy
Co-authors: R. J. Goudy; F. Pavo·evi·; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Triple excitations in nuclear-electronic orbital coupled cluster theory for multiple quantum protons
year cv	2025
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0303185
first author cv	Goudy

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0303185

Match decisions

No decision recorded; a single record.

2025 Tutorial on computing nonadiabatic proton-coupled electron transfer rate constants The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1627–1629 · CV · published

1627402. P. Hutchison, K. Cui, J. Zhong, and S. Hammes-Schiffer, ·Tutorial on computing1628nonadiabatic proton-coupled electron transfer rate constants,· J. Chem. Phys. 163, 0915011629(2025).

Institution fields

Peer reviewed: yes
First author: Hutchison
Co-authors: P. Hutchison; K. Cui; J. Zhong; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Tutorial on computing nonadiabatic proton-coupled electron transfer rate constants
year cv	2025
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0284337
first author cv	Hutchison

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0284337

Match decisions

No decision recorded; a single record.

2024 A many-body perspective of nuclear quantum effects in aqueous clusters The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1541–1542 · CV · published

1541372. E. Lambros, J. H. Fetherolf, S. Hammes-Schiffer, and X. Li, ·A many-body perspective of1542nuclear quantum effects in aqueous clusters,· J. Phys. Chem. Lett. 15, 4070-4075 (2024).

Institution fields

Peer reviewed: yes
First author: Lambros
Co-authors: E. Lambros; J. H. Fetherolf; S. Hammes-Schiffer; X. Li
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	A many-body perspective of nuclear quantum effects in aqueous clusters
year cv	2024
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.4c00439
first author cv	Lambros

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.4c00439

Match decisions

No decision recorded; a single record.

2024 Beyond the ‘Spine of Hydration’: Chiral SFG Spectroscopy Detects DNA First Hydration Shell and Base Pair Structures The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1572–1575 · CV · published

1572383. E. A. Perets, D. Konstantinovsky, T. Santiago, P. E. Videla, M. Tremblay, L. Velarde, V.1573S. Batista, S. Hammes-Schiffer, and E. C. Y. Yan, ·Beyond the ·spine of hydration·: Chiral1574SFG spectroscopy detects DNA first hydration shell and base pair structures,· J. Chem. Phys.1575161, 095104 (2024).

Institution fields

Peer reviewed: yes
First author: Perets
Co-authors: E. A. Perets; D. Konstantinovsky; T. Santiago; P. E. Videla; M. Tremblay; L. Velarde; V. S. Batista; S. Hammes-Schiffer; E. C. Y. Yan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Beyond the ·spine of hydration·: Chiral SFG spectroscopy detects DNA first hydration shell and base pair structuresBeyond the ‘Spine of Hydration’: Chiral SFG Spectroscopy Detects DNA First Hydration Shell and Base Pair Structures	Beyond the "Spine of Hydration": Chiral SFG Spectroscopy Detects DNA First Hydration Shell and Base Pair StructuresBeyond the “spine of hydration”: Chiral SFG spectroscopy detects DNA first hydration shell and base pair structures
year cv	20242024	20242024
venue crossref	J. Chem. Phys.	ChemRxivThe Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	articlearticle	working_paperarticle
DOI crossref	10.1063/5.0220479	10.26434/chemrxiv-2024-dwtg010.1063/5.0220479	10.1063/5.0220479
preprint DOI openalex		10.26434/chemrxiv-2024-dwtg0
first author openalex	Perets	PeretsPerets

Citations

OpenAlex: 14
Scholar: none
OpenAlex with related records: 15
DOI: 10.1063/5.0220479
OpenAlex: W4402233689

Match decisions

No decision recorded; a single record.

2024 Direct evidence for a sequential electron transfer·proton transfer mechanism in the PCET reduction of a metal hydroxide catalyst Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1526–1528 · CV · published

1526367. M. C. Kessinger, J. Xu, K. Cui, Q. Loague, A. V. Soudackov, S. Hammes-Schiffer, and G.1527J. Meyer, ·Direct evidence for a sequential electron transfer·proton transfer mechanism in1528the PCET reduction of a metal hydroxide catalyst,· J. Am. Chem. Soc. 146, 1742-1747 (2024).

Institution fields

Peer reviewed: yes
First author: Kessinger
Co-authors: M. C. Kessinger; J. Xu; K. Cui; Q. Loague; A. V. Soudackov; S. Hammes-Schiffer; G. J. Meyer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Direct evidence for a sequential electron transfer·proton transfer mechanism in the PCET reduction of a metal hydroxide catalyst
year cv	2024
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.3c10742
first author cv	Kessinger

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.3c10742

Match decisions

No decision recorded; a single record.

2024 Electro-inductive Effects and Molecular Polarizability for Vibrational Probes on Electrode Surfaces The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1569–1571 · CV · published

1569382. W. R. Lake, J. Meng, J. M. Dawlaty, T. Lian, and S. Hammes-Schiffer, ·Electro-inductive1570effects and molecular polarizability for vibrational probes on electrode surfaces,· J. Phys.1571Chem. Lett. 15, 9100-9104 (2024).

Institution fields

Peer reviewed: yes
First author: Lake
Co-authors: W. R. Lake; J. Meng; J. M. Dawlaty; T. Lian; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Electro-inductive effects and molecular polarizability for vibrational probes on electrode surfacesElectro-inductive Effects and Molecular Polarizability for Vibrational Probes on Electrode Surfaces	Electro-inductive Effects and Molecular Polarizability for Vibrational Probes on Electrode Surfaces
year cv	20242024	2024
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	articlearticle	article
DOI cv	10.1021/acs.jpclett.4c0218310.1021/acs.jpclett.4c02183	10.1021/acs.jpclett.4c02183
first author openalex	Lake	Lake

Citations

OpenAlex: 8
Scholar: none
DOI: 10.1021/acs.jpclett.4c02183
OpenAlex: W4401941461

Match decisions

No decision recorded; a single record.

2024 Hydrogen on colloidal gold nanoparticles Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1547–1549 · CV · published

1547374. N. E. Gentry, A. Kurimoto, K. Cui, J. L. Cleron, C. M. Xiang, S. Hammes-Schiffer, and J.1548M. Mayer, ·Hydrogen on colloidal gold nanoparticles,· J. Am. Chem. Soc. 146, 14505-145201549(2024).

Institution fields

Peer reviewed: yes
First author: Gentry
Co-authors: N. E. Gentry; A. Kurimoto; K. Cui; J. L. Cleron; C. M. Xiang; S. Hammes-Schiffer; J. M. Mayer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Hydrogen on colloidal gold nanoparticles
year cv	2024
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.4c00507
first author cv	Gentry

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.4c00507

Match decisions

No decision recorded; a single record.

2024 Interfacial proton-coupled electron transfer via localized trap states on metal oxide surfaces The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 1550–1552 · CV · published

1550375. R. E. Warburton, A. V. Soudackov, and S. Hammes-Schiffer, ·Interfacial proton-coupled1551electron transfer via localized trap states on metal oxide surfaces,· J. Phys. Chem. C 128,15527903-7912 (2024).

Institution fields

Peer reviewed: yes
First author: Warburton
Co-authors: R. E. Warburton; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Interfacial proton-coupled electron transfer via localized trap states on metal oxide surfaces
year cv	2024
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C
kind cv	article
DOI crossref	10.1021/acs.jpcc.4c00458
first author cv	Warburton

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpcc.4c00458

Match decisions

No decision recorded; a single record.

2024 Lagrangian formulation of nuclear-electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1589–1591 · CV · published

1589388. J. Xu, R. Zhou, T. E. Li, S. Hammes-Schiffer, and Y. Kanai, ·Lagrangian formulation of1590nuclear-electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic1591systems,· J. Chem. Phys. 161, 194109 (2024).

Institution fields

Peer reviewed: yes
First author: Xu
Co-authors: J. Xu; R. Zhou; T. E. Li; S. Hammes-Schiffer; Y. Kanai
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Lagrangian formulation of nuclear-electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems
year cv	2024
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0230570
first author cv	Xu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0230570

Match decisions

No decision recorded; a single record.

2024 Long-range electrostatic effects from intramolecular Lewis acid binding influence the redox properties of cobalt-porphyrin complexes Chemical Science article journal CV OA GS

CV span

lines 1543–1546 · CV · published

1543373. J. L. Alvarez-Hernandez, X. Zhang, K. Cui, A. P. Deziel, S. Hammes-Schiffer, N. Hazari,1544N. Piekut, and M. Zhong, ·Long-range electrostatic effects from intramolecular Lewis acid1545binding influence the redox properties of cobalt-porphyrin complexes,· Chem. Sci. 15,15466800-6815 (2024).

Institution fields

Peer reviewed: yes
First author: Alvarez-Hernandez
Co-authors: J. L. Alvarez-Hernandez; X. Zhang; K. Cui; A. P. Deziel; S. Hammes-Schiffer; N. Hazari; N. Piekut; M. Zhong
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Long-range electrostatic effects from intramolecular Lewis acid binding influence the redox properties of cobalt-porphyrin complexes	Long-range electrostatic effects from intramolecular Lewis acid binding influence the redox properties of cobalt–porphyrin complexes
year cv	2024	2024
venue crossref	Chem. Sci.	Chemical Science	Chemical Science
kind cv	article	article
DOI crossref	10.1039/d3sc06177a	10.1039/d3sc06177a
first author openalex	Alvarez-Hernandez	Alvarez-Hernandez

Citations

OpenAlex: 14
Scholar: none
DOI: 10.1039/d3sc06177a
OpenAlex: W4394606223

Match decisions

No decision recorded; a single record.

2024 Measuring the electric fields of ions captured in crown ethers The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1557–1559 · CV · published

1557378. A. Maitra, W. R. Lake, A. Mohamed, S. Edington, P. Das, B. C. Thompson, S.1558Hammes-Schiffer, Mark Johnson, and J. M. Dawlaty, ·Measuring the electric fields of ions1559captured in crown ethers,· J. Phys. Chem. Lett. 15, 7458-7465 (2024).

Institution fields

Peer reviewed: yes
First author: Maitra
Co-authors: A. Maitra; W. R. Lake; A. Mohamed; S. Edington; P. Das; B. C. Thompson; S. Hammes-Schiffer; Mark Johnson; J. M. Dawlaty
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Measuring the electric fields of ions captured in crown ethers	Measuring the Electric Fields of Ions Captured in Crown Ethers
year cv	2024	2024
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/acs.jpclett.4c01303	10.1021/acs.jpclett.4c01303
first author openalex	Maitra	Maitra

Citations

OpenAlex: 12
Scholar: none
DOI: 10.1021/acs.jpclett.4c01303
OpenAlex: W4400641767

Match decisions

No decision recorded; a single record.

2024 Nonadiabatic hydrogen tunneling dynamics for multiple proton transfer processes with generalized nuclear-electronic orbital multistate density functional theory Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1579–1581 · CV · published

1579385. J. A. Dickinson and S. Hammes-Schiffer, ·Nonadiabatic hydrogen tunneling dynamics for1580multiple proton transfer processes with generalized nuclear-electronic orbital multistate1581density functional theory,· J. Chem. Theory Comput. 20, 7716-7727 (2024).

Institution fields

Peer reviewed: yes
First author: Dickinson
Co-authors: J. A. Dickinson; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nonadiabatic hydrogen tunneling dynamics for multiple proton transfer processes with generalized nuclear-electronic orbital multistate density functional theory
year cv	2024
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.4c00737
first author cv	Dickinson

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.4c00737

Match decisions

No decision recorded; a single record.

2024 Nonadiabatic proton-coupled electron transfer at a graphitic surface immobilized cobalt porphyrin ACS Catalysis article journal CV OA GS

CV span

lines 1576–1578 · CV · published

1576384. P. Hutchison, A. V. Soudackov, and S. Hammes-Schiffer, ·Nonadiabatic proton-coupled1577electron transfer at a graphitic surface immobilized cobalt porphyrin,· ACS Catal. 14,157814363-14732 (2024).

Institution fields

Peer reviewed: yes
First author: Hutchison
Co-authors: P. Hutchison; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nonadiabatic proton-coupled electron transfer at a graphitic surface immobilized cobalt porphyrin
year cv	2024
venue crossref	ACS Catal.	ACS Catalysis
kind cv	article
DOI crossref	10.1021/acscatal.4c03962
first author cv	Hutchison

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acscatal.4c03962

Match decisions

No decision recorded; a single record.

2024 Nuclear-electronic orbital time-dependent configuration interaction method The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1553–1554 · CV · published

1553376. S. M. Garner, S. Upadhyay, X. Li, and S. Hammes-Schiffer, ·Nuclear-electronic orbital1554time-dependent configuration interaction method,· J. Phys. Chem. Lett. 15, 6017-6023 (2024).

Institution fields

Peer reviewed: yes
First author: Garner
Co-authors: S. M. Garner; S. Upadhyay; X. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital time-dependent configuration interaction method
year cv	2024
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.4c00805
first author cv	Garner

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.4c00805

Match decisions

No decision recorded; a single record.

2024 Nuclear quantum effects in quantum mechanical/molecular mechanical free energy simulations of ribonucleotide reductase Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1594–1596 · CV · published

1594390. M. Chow, C. R. Reinhardt, and S. Hammes-Schiffer, ·Nuclear quantum effects in quantum1595mechanical/molecular mechanical free energy simulations of ribonucleotide reductase,· J. Am.1596Chem. Soc. 146, 33258-33264 (2024).

Institution fields

Peer reviewed: yes
First author: Chow
Co-authors: M. Chow; C. R. Reinhardt; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear quantum effects in quantum mechanical/molecular mechanical free energy simulations of ribonucleotide reductase
year cv	2024
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.4c13955
first author cv	Chow

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.4c13955

Match decisions

No decision recorded; a single record.

2024 Probing nonadiabaticity of proton-coupled electron transfer in ribonucleotide reductase The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1534–1536 · CV · published

1534370. J. Zhong, A. V. Soudackov, and S. Hammes-Schiffer, ·Probing nonadiabaticity of1535proton-coupled electron transfer in ribonucleotide reductase,· J. Phys. Chem. Lett. 15,15361686-1693 (2024).

Institution fields

Peer reviewed: yes
First author: Zhong
Co-authors: J. Zhong; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Probing nonadiabaticity of proton-coupled electron transfer in ribonucleotide reductase
year cv	2024
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.3c03552
first author cv	Zhong

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.3c03552

Match decisions

No decision recorded; a single record.

2024 Proton-coupled electron transfer mechanisms for CO2 reduction to methanol catalyzed by surface-immobilized cobalt phthalocyanine Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1560–1562 · CV · published

1560379. P. Hutchison, L. E. Smith, C. L. Rooney, H. Wang, and S. Hammes-Schiffer,1561·Proton-coupled electron transfer mechanisms for CO2 reduction to methanol catalyzed by1562surface-immobilized cobalt phthalocyanine,· J. Am. Chem. Soc. 146, 20230-20240 (2024).

Institution fields

Peer reviewed: yes
First author: Hutchison
Co-authors: P. Hutchison; L. E. Smith; C. L. Rooney; H. Wang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer mechanisms for CO2 reduction to methanol catalyzed by surface-immobilized cobalt phthalocyanine	Proton-Coupled Electron Transfer Mechanisms for CO2 Reduction to Methanol Catalyzed by Surface-Immobilized Cobalt Phthalocyanine
year cv	2024	2024
venue crossref	J. Am. Chem. Soc.	Journal of the American chemical society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.4c05444
first author cv	Hutchison	Hutchison

Citations

OpenAlex: none
Scholar: 83
DOI: 10.1021/jacs.4c05444

Match decisions

fingerprint merged · 1.00 · Run 18

2024 Proton-coupled electron transfer upon oxidation of tyrosine in a de novo protein: Analysis of proton acceptor candidates Biochemistry article journal CV OA GS

CV span

lines 1563–1565 · CV · published

1563380. Q. Zhu, A. V. Soudackov, C. Tommos, and S. Hammes-Schiffer, ·Proton-coupled electron1564transfer upon oxidation of tyrosine in a de novo protein: Analysis of proton acceptor1565candidates,· Biochemistry 63, 1999-2008 (2024).

Institution fields

Peer reviewed: yes
First author: Zhu
Co-authors: Q. Zhu; A. V. Soudackov; C. Tommos; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Proton-coupled electron transfer upon oxidation of tyrosine in a de novo protein: Analysis of proton acceptor candidates
year cv	2024
venue crossref	Biochemistry
kind cv	article
DOI crossref	10.1021/acs.biochem.4c00211
first author cv	Zhu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.biochem.4c00211

Match decisions

No decision recorded; a single record.

2024 Roadmap on methods and software for electronic structure based simulations in chemistry and materials Electronic Structure article CV OA GS

CV span

lines 1592–1593 · CV · published

1592389. V. Blum et al., ·Roadmap on methods and software for electronic structure based1593simulations in chemistry and materials,· Electron. Struct. 6, 042501 (2024).

Institution fields

Peer reviewed: yes
First author: Blum
Co-authors: V. Blum et al.
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Roadmap on methods and software for electronic structure based simulations in chemistry and materials
year cv	2024
venue crossref	Electron. Struct.	Electronic Structure
kind cv	article
DOI crossref	10.1088/2516-1075/ad48ec
first author cv	Blum

Citations

OpenAlex: none
Scholar: none
DOI: 10.1088/2516-1075/ad48ec

Match decisions

No decision recorded; a single record.

2024 Squeezed protons and infrared plasmonic resonance energy transfer The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1529–1530 · CV · published

1529368. T. E. Li, E. Paenurk, and S. Hammes-Schiffer, ·Squeezed protons and infrared plasmonic1530resonance energy transfer,· J. Phys. Chem. Lett. 15, 751-757 (2024).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; E. Paenurk; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Squeezed protons and infrared plasmonic resonance energy transfer
year cv	2024
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.3c03112
first author cv	Li

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.3c03112

Match decisions

No decision recorded; a single record.

2024 Switching the proton-coupled electron transfer mechanism for non-canonical tyrosine residues in a de novo protein Chemical Science article journal CV OA GS

CV span

lines 1537–1540 · CV · published

1537371. A. Nilsen-Moe, C. R. Reinhardt, P. Huang, H. Agarwala, R. Lopes, M. Lasagna, S. Glover,1538S. Hammes-Schiffer, C. Tommos, and L. Hammarström, ·Switching the proton-coupled electron1539transfer mechanism for non-canonical tyrosine residues in a de novo protein,· Chem. Sci. 15,15403957- 3970 (2024).

Institution fields

Peer reviewed: yes
First author: Nilsen-Moe
Co-authors: A. Nilsen-Moe; C. R. Reinhardt; P. Huang; H. Agarwala; R. Lopes; M. Lasagna; S. Glover; S. Hammes-Schiffer; C. Tommos; L. Hammarström
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Switching the proton-coupled electron transfer mechanism for non-canonical tyrosine residues in a de novo protein
year cv	2024
venue crossref	Chem. Sci.	Chemical Science
kind cv	article
DOI crossref	10.1039/d3sc05450k
first author cv	Nilsen-Moe

Citations

OpenAlex: none
Scholar: none
DOI: 10.1039/d3sc05450k

Match decisions

No decision recorded; a single record.

2024 Theoretical analysis of hydrogen underpotential deposition on Pt(111) under alkaline conditions The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 1566–1568 · CV · published

1566381. B. J. G. Rousseau, X. Lu, A. V. Soudackov, J. Suntivich, H. Abruña, and S.1567Hammes-Schiffer, ·Theoretical analysis of hydrogen underpotential deposition on Pt(111) under1568alkaline conditions,· J. Phys. Chem. C 128, 12109-12120 (2024).

Institution fields

Peer reviewed: yes
First author: Rousseau
Co-authors: B. J. G. Rousseau; X. Lu; A. V. Soudackov; J. Suntivich; H. Abruña; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Theoretical analysis of hydrogen underpotential deposition on Pt(111) under alkaline conditions
year cv	2024
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C
kind cv	article
DOI crossref	10.1021/acs.jpcc.4c02854
first author cv	Rousseau

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpcc.4c02854

Match decisions

No decision recorded; a single record.

2024 Theoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1531–1533 · CV · published

1531369. D. Konstantinovsky, T. Santiago, M. Tremblay, G. J. Simpson, S. Hammes-Schiffer, and E.1532C. Y. Yan, ·Theoretical basis for interpreting heterodyne chirality-selective sum frequency1533generation spectra of water,· J. Chem. Phys. 160, 055102 (2024).

Institution fields

Peer reviewed: yes
First author: Konstantinovsky
Co-authors: D. Konstantinovsky; T. Santiago; M. Tremblay; G. J. Simpson; S. Hammes-Schiffer; E. C. Y. Yan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Theoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water	Theoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of waterTheoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water
year cv	2024	20232024
venue crossref	J. Chem. Phys.	ChemRxivThe Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	working_paperarticle
DOI crossref	10.1063/5.0181718	10.26434/chemrxiv-2023-3vtfc10.1063/5.0181718
preprint DOI openalex		10.26434/chemrxiv-2023-3vtfc
first author openalex	Konstantinovsky	KonstantinovskyKonstantinovsky

Citations

OpenAlex: 7
Scholar: none
OpenAlex with related records: 8
DOI: 10.1063/5.0181718
OpenAlex: W4391735279

Match decisions

No decision recorded; a single record.

2024 Theory for proton-coupled energy transfer The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1555–1556 · CV · published

1555377. K. Cui and S. Hammes-Schiffer, ·Theory for proton-coupled energy transfer,· J. Chem.1556Phys. 161, 034113 (2024).

Institution fields

Peer reviewed: yes
First author: Cui
Co-authors: K. Cui; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Theory for proton-coupled energy transfer
year cv	2024
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0217546
first author cv	Cui

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0217546

Match decisions

No decision recorded; a single record.

2024 The role of an intramolecular hydrogen bond in the redox properties of carboxylic acid naphthoquinones Chemical Science article journal CV OA GS

CV span

lines 1582–1584 · CV · published

1582386. W. D. Guerra, E. Odella, K. Cui, M. Secor, R. E. Dominguez, E. J. Gonzalez, T. A. Moore,1583S. Hammes-Schiffer, and A. L. Moore, ·The role of an intramolecular hydrogen bond in the1584redox properties of carboxylic acid naphthoquinones,· Chem. Sci. 15, 17425-17434 (2024).

Institution fields

Peer reviewed: yes
First author: Guerra
Co-authors: W. D. Guerra; E. Odella; K. Cui; M. Secor; R. E. Dominguez; E. J. Gonzalez; T. A. Moore; S. Hammes-Schiffer; A. L. Moore
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	The role of an intramolecular hydrogen bond in the redox properties of carboxylic acid naphthoquinones
year cv	2024
venue crossref	Chem. Sci.	Chemical Science
kind cv	article
DOI crossref	10.1039/d4sc05277c
first author cv	Guerra

Citations

OpenAlex: none
Scholar: none
DOI: 10.1039/d4sc05277c

Match decisions

No decision recorded; a single record.

2024 When a twist makes a difference: Exploring PCET and ESIPT on non-planar hydrogen-bonded donor-acceptor system The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1585–1588 · CV · published

1585387. E. Odella, J. H. Fetherolf, M. Secor, L. DiPaola, R. E. Dominguez, E. J. Gonzalez, A. Y.1586Khmelnitskiy, G. Kodis, T. L. Groy, T. A. Moore, S. Hammes-Schiffer, and A. L. Moore, ·When a1587twist makes a difference: Exploring PCET and ESIPT on non-planar hydrogen-bonded1588donor-acceptor system,· J. Phys. Chem. Lett. 15, 10835-10841 (2024).

Institution fields

Peer reviewed: yes
First author: Odella
Co-authors: E. Odella; J. H. Fetherolf; M. Secor; L. DiPaola; R. E. Dominguez; E. J. Gonzalez; A. Y. Khmelnitskiy; G. Kodis; T. L. Groy; T. A. Moore; S. Hammes-Schiffer; A. L. Moore
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	When a twist makes a difference: Exploring PCET and ESIPT on non-planar hydrogen-bonded donor-acceptor system
year cv	2024
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.4c02141
first author cv	Odella

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.4c02141

Match decisions

No decision recorded; a single record.

2023 Assessing implicit and explicit polarizable solvation models for nuclear-electronic orbital systems: Quantum proton polarization and solvation energetics The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1519–1522 · CV · published

1519365. E. Lambros, B. Link, M. Chow, F. Lipparini, S. Hammes-Schiffer, and X. Li, ·Assessing1520implicit and explicit polarizable solvation models for nuclear-electronic orbital systems:1521Quantum proton polarization and solvation energetics,· J. Phys. Chem. A 127, 9322-93331522(2023).

Institution fields

Peer reviewed: yes
First author: Lambros
Co-authors: E. Lambros; B. Link; M. Chow; F. Lipparini; S. Hammes-Schiffer; X. Li
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Assessing implicit and explicit polarizable solvation models for nuclear-electronic orbital systems: Quantum proton polarization and solvation energetics
year cv	2023
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A
kind cv	article
DOI crossref	10.1021/acs.jpca.3c03153
first author cv	Lambros

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpca.3c03153

Match decisions

No decision recorded; a single record.

2023 Characterizing interfaces by Voronai tessellation The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1483–1484 · CV · published

1483353. D. Konstantinovsky, E. C. Y. Yan, and S. Hammes-Schiffer, ·Characterizing interfaces by1484Voronai tessellation,· J. Phys. Chem. Lett. 14, 5260-5266 (2023).

Institution fields

Peer reviewed: yes
First author: Konstantinovsky
Co-authors: D. Konstantinovsky; E. C. Y. Yan; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Characterizing interfaces by Voronai tessellation	Characterizing Interfaces by Voronoi Tessellation
year cv	2023	2023
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	article
DOI crossref	10.1021/acs.jpclett.3c01159	10.1021/acs.jpclett.3c01159
first author openalex	Konstantinovsky	Konstantinovsky

Citations

OpenAlex: 15
Scholar: none
DOI: 10.1021/acs.jpclett.3c01159
OpenAlex: W4379093271

Match decisions

No decision recorded; a single record.

2023 Computational insights into the mechanism of nitric oxide generation from S-nitrosoglutathione catalyzed by a copper metal-organic framework Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1476–1479 · CV · published

1476351. B. J. G. Rousseau, A. V. Soudackov, R. R. Tuttle, M. M. Reynolds, R. G. Finke, and S.1477Hammes-Schiffer, ·Computational insights into the mechanism of nitric oxide generation from1478S-nitrosoglutathione catalyzed by a copper metal-organic framework,· J. Am. Chem. Soc. 145,147910285-10294 (2023).

Institution fields

Peer reviewed: yes
First author: Rousseau
Co-authors: B. J. G. Rousseau; A. V. Soudackov; R. R. Tuttle; M. M. Reynolds; R. G. Finke; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Computational insights into the mechanism of nitric oxide generation from S-nitrosoglutathione catalyzed by a copper metal-organic framework
year cv	2023
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.3c01569
first author cv	Rousseau

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.3c01569

Match decisions

No decision recorded; a single record.

2023 Concerted proton-coupled electron transfer to a graphite adsorbed metalloporphyrin occurs by band to bond electron redistribution ACS Central Science article journal CV OA GS

CV span

lines 1473–1475 · CV · published

1473350. P. Hutchison, C. J. Kaminsky, Y. Surendranath, and S. Hammes-Schiffer, ·Concerted1474proton-coupled electron transfer to a graphite adsorbed metalloporphyrin occurs by band to1475bond electron redistribution,· ACS Cent. Sci. 9, 927-936 (2023).

Institution fields

Peer reviewed: yes
First author: Hutchison
Co-authors: P. Hutchison; C. J. Kaminsky; Y. Surendranath; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Concerted proton-coupled electron transfer to a graphite adsorbed metalloporphyrin occurs by band to bond electron redistribution
year cv	2023
venue crossref	ACS Cent. Sci.	ACS Central Science
kind cv	article
DOI crossref	10.1021/acscentsci.3c00186
first author cv	Hutchison

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acscentsci.3c00186

Match decisions

No decision recorded; a single record.

2023 Density matrix-based features as descriptors for oxygen reduction and evolution catalysts The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 1495–1497 · CV · published

1495357. M. Secor, A. V. Soudackov, and S. Hammes-Schiffer, ·Density matrix-based features as1496descriptors for oxygen reduction and evolution catalysts,· J. Phys. Chem. C 127, 15246-152561497(2023).

Institution fields

Peer reviewed: yes
First author: Secor
Co-authors: M. Secor; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Density matrix-based features as descriptors for oxygen reduction and evolution catalysts
year cv	2023
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C
kind cv	article
DOI crossref	10.1021/acs.jpcc.3c03392
first author cv	Secor

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpcc.3c03392

Match decisions

No decision recorded; a single record.

2023 Design of an Electrostatic Frequency Map for the NH Stretch of the Protein Backbone and Application to Chiral Sum Frequency Generation Spectroscopy The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1459–1462 · CV · published

1459345. D. Konstantinovsky, E. A. Perets, T. Santiago, K. Olesen, Z. Wang, A. V. Soudackov, E.1460C. Y. Yan, S. Hammes-Schiffer, ·Design of an electrostatic frequency map for the NH stretch1461of the protein backbone and application to chiral sum frequency generation spectroscopy,· J.1462Phys. Chem. B 127, 2418-2429 (2023).

Institution fields

Peer reviewed: yes
First author: Konstantinovsky
Co-authors: D. Konstantinovsky; E. A. Perets; T. Santiago; K. Olesen; Z. Wang; A. V. Soudackov; E. C. Y. Yan; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Design of an electrostatic frequency map for the NH stretch of the protein backbone and application to chiral sum frequency generation spectroscopyDesign of an Electrostatic Frequency Map for the NH Stretch of the Protein Backbone and Application to Chiral Sum Frequency Generation Spectroscopy	Design of an Electrostatic Frequency Map for the NH Stretch of the Protein Backbone and Application to Chiral Sum Frequency Generation Spectroscopy
year cv	20232023	2023
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	articlearticle	article
DOI crossref	10.1021/acs.jpcb.3c00217	10.1021/acs.jpcb.3c00217	10.1021/acs.jpcb.3c00217
first author openalex	Konstantinovsky	Konstantinovsky

Citations

OpenAlex: 17
Scholar: none
DOI: 10.1021/acs.jpcb.3c00217
OpenAlex: W4324130392

Match decisions

No decision recorded; a single record.

2023 Detecting interplay of chirality, water, and interfaces for elucidating biological functions Accounts of Chemical Research article journal CV OA GS

CV span

lines 1480–1482 · CV · published

1480352. E. C. Y. Yan, E. A. Perets, D. Konstantinovsky, and S. Hammes-Schiffer, ·Detecting1481interplay of chirality, water, and interfaces for elucidating biological functions,· Acc.1482Chem. Res. 56, 1494-1504 (2023).

Institution fields

Peer reviewed: yes
First author: Yan
Co-authors: E. C. Y. Yan; E. A. Perets; D. Konstantinovsky; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Detecting interplay of chirality, water, and interfaces for elucidating biological functions	Detecting Interplay of Chirality, Water, and Interfaces for Elucidating Biological Functions
year cv	2023	2023
venue crossref	Acc. Chem. Res.	Accounts of Chemical Research	Accounts of Chemical Research
kind cv	article	article
DOI crossref	10.1021/acs.accounts.3c00088	10.1021/acs.accounts.3c00088
first author openalex	Yan	Yan

Citations

OpenAlex: 23
Scholar: none
DOI: 10.1021/acs.accounts.3c00088
OpenAlex: W4376105324

Match decisions

No decision recorded; a single record.

2023 Direct proton-coupled electron transfer between interfacial tyrosines in ribonucleotide reductase Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1456–1458 · CV · published

1456344. J. Zhong, C. R. Reinhardt, and S. Hammes-Schiffer, ·Direct proton-coupled electron1457transfer between interfacial tyrosines in ribonucleotide reductase,· J. Am. Chem. Soc. 145,14584784-4790 (2023).

Institution fields

Peer reviewed: yes
First author: Zhong
Co-authors: J. Zhong; C. R. Reinhardt; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Direct proton-coupled electron transfer between interfacial tyrosines in ribonucleotide reductase
year cv	2023
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.2c13615
first author cv	Zhong

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.2c13615

Match decisions

No decision recorded; a single record.

2023 Electro-inductive effect dominates vibrational frequency shifts of conjugated probes on gold electrodes Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1510–1512 · CV · published

1510362. W. R. Lake, J. Meng, J. M. Dawlaty, T. Lian, and S. Hammes-Schiffer, ·Electro-inductive1511effect dominates vibrational frequency shifts of conjugated probes on gold electrodes,· J.1512Am. Chem. Soc. 145, 22548-22554 (2023).

Institution fields

Peer reviewed: yes
First author: Lake
Co-authors: W. R. Lake; J. Meng; J. M. Dawlaty; T. Lian; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Electro-inductive effect dominates vibrational frequency shifts of conjugated probes on gold electrodes	Electro-inductive Effect Dominates Vibrational Frequency Shifts of Conjugated Probes on Gold Electrodes
year cv	2023	2023
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article
DOI cv	10.1021/jacs.3c0748910.1021/jacs.3c07489	10.1021/jacs.3c07489
first author openalex	Lake	Lake

Citations

OpenAlex: 27
Scholar: none
DOI: 10.1021/jacs.3c07489
OpenAlex: W4387357052

Match decisions

No decision recorded; a single record.

2023 Electronic Born-Oppenheimer approximation in nuclear-electronic orbital dynamics The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1468–1469 · CV · published

1468348. T. E. Li and S. Hammes-Schiffer, ·Electronic Born-Oppenheimer approximation in1469nuclear-electronic orbital dynamics,· J. Chem. Phys. 158, 114118 (2023).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Electronic Born-Oppenheimer approximation in nuclear-electronic orbital dynamics
year cv	2023
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0142007
first author cv	Li

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0142007

Match decisions

No decision recorded; a single record.

2023 Exploring proton-coupled electron transfer at multiple scales Nature Computational Science article journal CV OA GS

CV span

lines 1463–1464 · CV · published

1463346. S. Hammes-Schiffer, ·Exploring proton-coupled electron transfer at multiple scales,·1464Nat. Comp. Sci. 3, 291-300 (2023).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Exploring proton-coupled electron transfer at multiple scales
year cv	2023
venue crossref	Nat. Comp. Sci.	Nature Computational Science
kind cv	article
DOI crossref	10.1038/s43588-023-00422-5
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1038/s43588-023-00422-5

Match decisions

No decision recorded; a single record.

2023 First-principles approach for coupled quantum dynamics of electrons and protons in heterogeneous systems Physical Review Letters article journal CV OA GS

CV span

lines 1523–1525 · CV · published

1523366. J. Xu, R. Zhou, V. Blum, T. E. Li, S. Hammes-Schiffer, and Y. Kanai, ·First-principles1524approach for coupled quantum dynamics of electrons and protons in heterogeneous systems,·1525Phys. Rev. Lett. 131, 238002 (2023).

Institution fields

Peer reviewed: yes
First author: Xu
Co-authors: J. Xu; R. Zhou; V. Blum; T. E. Li; S. Hammes-Schiffer; Y. Kanai
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	First-principles approach for coupled quantum dynamics of electrons and protons in heterogeneous systems
year cv	2023
venue crossref	Phys. Rev. Lett.	Physical Review Letters
kind cv	article
DOI crossref	10.1103/physrevlett.131.238002
first author cv	Xu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1103/physrevlett.131.238002

Match decisions

No decision recorded; a single record.

2023 Generalized nuclear-electronic orbital multistate density functional theory for multiple proton transfer processes The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1485–1487 · CV · published

1485354. J. A. Dickinson, Q. Yu, and S. Hammes-Schiffer, ·Generalized nuclear-electronic orbital1486multistate density functional theory for multiple proton transfer processes,· J. Phys. Chem.1487Lett. 14, 6170-6178 (2023).

Institution fields

Peer reviewed: yes
First author: Dickinson
Co-authors: J. A. Dickinson; Q. Yu; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Generalized nuclear-electronic orbital multistate density functional theory for multiple proton transfer processes
year cv	2023
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.3c01422
first author cv	Dickinson

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.3c01422

Match decisions

No decision recorded; a single record.

2023 General kinetic model for pH dependence of proton-coupled electron transfer: Application to an electrochemical water oxidation system Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1500–1502 · CV · published

1500359. K. Cui, A. V. Soudackov, M. C. Kessinger, J. Xu, G. J. Meyer, and S. Hammes-Schiffer,1501·General kinetic model for pH dependence of proton-coupled electron transfer: Application to1502an electrochemical water oxidation system,· J. Am. Chem. Soc. 145, 19321-29332 (2023).

Institution fields

Peer reviewed: yes
First author: Cui
Co-authors: K. Cui; A. V. Soudackov; M. C. Kessinger; J. Xu; G. J. Meyer; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	General kinetic model for pH dependence of proton-coupled electron transfer: Application to an electrochemical water oxidation system
year cv	2023
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.3c05535
first author cv	Cui

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.3c05535

Match decisions

No decision recorded; a single record.

2023 Inductive effect alone cannot explain Lewis adduct formation and dissociation at electrode interfaces Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1465–1467 · CV · published

1465347. S. Menachekanian, M. Voegtle, R. E. Warburton, S. Hammes-Schiffer, and J. M. Dawlaty,1466·Inductive effect alone cannot explain Lewis adduct formation and dissociation at electrode1467interfaces,· J. Am. Chem. Soc. 145, 5759-5768 (2023).

Institution fields

Peer reviewed: yes
First author: Menachekanian
Co-authors: S. Menachekanian; M. Voegtle; R. E. Warburton; S. Hammes-Schiffer; J. M. Dawlaty
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Inductive effect alone cannot explain Lewis adduct formation and dissociation at electrode interfaces
year cv	2023
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.2c12370
first author cv	Menachekanian

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.2c12370

Match decisions

No decision recorded; a single record.

2023 Inverse kinetic isotope effects in the oxygen reduction reaction at platinum single crystals Nature Chemistry article journal CV OA GS

CV span

lines 1447–1449 · CV · published

1447341. Y. Yang, R. G. Agarwal, P. Hutchison, R. Rizo, A. V. Soudackov, X. Lu, E. Herrero, J. M.1448Feliu, S. Hammes-Schiffer, J. M. Mayer, and H. D. Abruña, ·Inverse kinetic isotope effects in1449the oxygen reduction reaction at platinum single crystals,· Nat. Chem. 15, 271-277 (2023).

Institution fields

Peer reviewed: yes
First author: Yang
Co-authors: Y. Yang; R. G. Agarwal; P. Hutchison; R. Rizo; A. V. Soudackov; X. Lu; E. Herrero; J. M. Feliu; S. Hammes-Schiffer; J. M. Mayer; H. D. Abruña
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Inverse kinetic isotope effects in the oxygen reduction reaction at platinum single crystals	Inverse kinetic isotope effects in the oxygen reduction reaction at platinum single crystals
year cv	2023	2023
venue crossref	Nat. Chem.	Nature chemistry	Nature Chemistry
kind cv	article	other
DOI crossref	10.1038/s41557-022-01084-y
first author cv	Yang	Yang

Citations

OpenAlex: none
Scholar: 118
DOI: 10.1038/s41557-022-01084-y

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Modeling the weak pH dependence of proton-coupled electron transfer for tryptophan derivatives The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1516–1518 · CV · published

1516364. K. Cui, A. V. Soudackov, and S. Hammes-Schiffer, ·Modeling the weak pH dependence of1517proton-coupled electron transfer for tryptophan derivatives,· J. Phys. Chem. Lett. 14,151810980-10987 (2023).

Institution fields

Peer reviewed: yes
First author: Cui
Co-authors: K. Cui; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Modeling the weak pH dependence of proton-coupled electron transfer for tryptophan derivatives
year cv	2023
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.3c02282
first author cv	Cui

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.3c02282

Match decisions

No decision recorded; a single record.

2023 Multicomponent Cholesky decomposition: Application to nuclear-electronic orbital theory Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1507–1509 · CV · published

1507361. A. Liu, T. Zhang, S. Hammes-Schiffer, and X. Li, ·Multicomponent Cholesky decomposition:1508Application to nuclear-electronic orbital theory,· J. Chem. Theory Comput. 19, 6255-62621509(2023).

Institution fields

Peer reviewed: yes
First author: Liu
Co-authors: A. Liu; T. Zhang; S. Hammes-Schiffer; X. Li
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Multicomponent Cholesky decomposition: Application to nuclear-electronic orbital theory
year cv	2023
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.3c00686
first author cv	Liu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.3c00686

Match decisions

No decision recorded; a single record.

2023 Nuclear-electronic orbital QM/MM approach: Geometry optimizations and molecular dynamics Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1488–1490 · CV · published

1488355. M. Chow, E. Lambros, X. Li, and S. Hammes-Schiffer, ·Nuclear-electronic orbital QM/MM1489approach: Geometry optimizations and molecular dynamics,· J. Chem. Theory Comput. 19,14903839-3848 (2023).

Institution fields

Peer reviewed: yes
First author: Chow
Co-authors: M. Chow; E. Lambros; X. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital QM/MM approach: Geometry optimizations and molecular dynamics
year cv	2023
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.3c00361
first author cv	Chow

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.3c00361

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the title Nuclear-electronic orbital Ehrenfest dynamics and year 2020.

2023 Nuclear-electronic orbital quantum dynamics of plasmon-driven H2 photodissociation Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1498–1499 · CV · published

1498358. T. E. Li and S. Hammes-Schiffer, ·Nuclear-electronic orbital quantum dynamics of1499plasmon-driven H2 photodissociation,· J. Am. Chem. Soc. 145, 18210-18214 (2023).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital quantum dynamics of plasmon-driven H2 photodissociation
year cv	2023
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.3c04927
first author cv	Li

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.3c04927

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the title Nuclear-electronic orbital Ehrenfest dynamics and year 2020.

2023 Nuclear-electronic orbital quantum mechanical/molecular mechanical real-time dynamics The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1513–1515 · CV · published

1513363. M. Chow, T. E. Li, and S. Hammes-Schiffer, ·Nuclear-electronic orbital quantum1514mechanical/molecular mechanical real-time dynamics,· J. Phys. Chem. Lett. 14, 9556-95621515(2023).

Institution fields

Peer reviewed: yes
First author: Chow
Co-authors: M. Chow; T. E. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital quantum mechanical/molecular mechanical real-time dynamics
year cv	2023
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.3c02275
first author cv	Chow

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.3c02275

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the title Nuclear-electronic orbital Ehrenfest dynamics and year 2020.

2023 Proton-regulated alcohol oxidation for high-capacity ketone-based flow battery anolyte Joule article journal CV OA GS

CV span

lines 1491–1494 · CV · published

1491356. R. Feng, Y. Chen, X. Zhang, B. J. G. Rousseau, P. Gao, P. Chen, S. T. Mergelsberg, L.1492Zhong, A. Hollas, Y. Liang, V. Murugesan, Q. Huang, S. Hammes-Schiffer, Y. Shao, and W. Wang,1493·Proton-regulated alcohol oxidation for high-capacity ketone-based flow battery anolyte,·1494Joule 7, 1609-1622 (2023).

Institution fields

Peer reviewed: yes
First author: Feng
Co-authors: R. Feng; Y. Chen; X. Zhang; B. J. G. Rousseau; P. Gao; P. Chen; S. T. Mergelsberg; L. Zhong; A. Hollas; Y. Liang; V. Murugesan; Q. Huang; S. Hammes-Schiffer; Y. Shao; W. Wang
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Proton-regulated alcohol oxidation for high-capacity ketone-based flow battery anolyte
year cv	2023
venue crossref	Joule
kind cv	article
DOI crossref	10.1016/j.joule.2023.06.013
first author cv	Feng

Citations

OpenAlex: none
Scholar: none
DOI: 10.1016/j.joule.2023.06.013

Match decisions

No decision recorded; a single record.

2023 QM/MM modeling of vibrational polariton induced energy transfer and chemical dynamics Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1450–1451 · CV · published

1450342. T. E. Li and S. Hammes-Schiffer, ·QM/MM modeling of vibrational polariton induced energy1451transfer and chemical dynamics,· J. Am. Chem. Soc. 145, 377-384 (2023).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	QM/MM modeling of vibrational polariton induced energy transfer and chemical dynamics	QM/MM modeling of vibrational polariton induced energy transfer and chemical dynamics
year cv	2023	2023
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.2c10170
first author cv	Li	Li

Citations

OpenAlex: none
Scholar: 46
DOI: 10.1021/jacs.2c10170

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Solvent induced proton polarization within the nuclear-electronic orbital framework The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1470–1472 · CV · published

1470349. E. Lambros, B. Link, M. Chow, S. Hammes-Schiffer, and X. Li, ·Solvent induced proton1471polarization within the nuclear-electronic orbital framework,· J. Phys. Chem. Lett. 14,14722990-2995 (2023).

Institution fields

Peer reviewed: yes
First author: Lambros
Co-authors: E. Lambros; B. Link; M. Chow; S. Hammes-Schiffer; X. Li
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Solvent induced proton polarization within the nuclear-electronic orbital framework
year cv	2023
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.3c00471
first author cv	Lambros

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.3c00471

Match decisions

No decision recorded; a single record.

2023 Spectroscopic characterization of the divalent metal docking motif to isolated cyanobenzoate: Direct observation of tridentate binding to ortho-cyanobenzoate and implications for the CN response The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1452–1455 · CV · published

1452343. A. Mohamed, S. C. Edington, M. Secor, J. R. Breton, S. Hammes-Schiffer, and M. A.1453Johnson, ·Spectroscopic characterization of the divalent metal docking motif to isolated1454cyanobenzoate: Direct observation of tridentate binding to ortho-cyanobenzoate and1455implications for the CN response,· J. Phys. Chem. A 127, 1413-1421 (2023).

Institution fields

Peer reviewed: yes
First author: Mohamed
Co-authors: A. Mohamed; S. C. Edington; M. Secor; J. R. Breton; S. Hammes-Schiffer; M. A. Johnson
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Spectroscopic characterization of the divalent metal docking motif to isolated cyanobenzoate: Direct observation of tridentate binding to ortho-cyanobenzoate and implications for the CN response	Spectroscopic Characterization of the Divalent Metal Docking Motif to Isolated Cyanobenzoate: Direct Observation of Tridentate Binding to ortho-Cyanobenzoate and Implications for the CN Response
year cv	2023	2023
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	article
DOI crossref	10.1021/acs.jpca.2c07658	10.1021/acs.jpca.2c07658
first author openalex	Mohamed	Mohamed

Citations

OpenAlex: 3
Scholar: none
DOI: 10.1021/acs.jpca.2c07658
OpenAlex: W4319334021

Match decisions

No decision recorded; a single record.

2023 Synthesis and surface attachment of molecular Re(I) hydride species with silatrane functionalized bipyridyl ligands Organometallics article journal CV OA GS

CV span

lines 1503–1506 · CV · published

1503360.X. Jia, K. Cui, J. L. Alvarez-Hernandez, C. L. Donley, A. Gang, S. Hammes-Schiffer, N.1504Hazari, S. Jeon, J. M. Mayer, H. S. Nedzbala, B. Shang, E. A. Stach, E. Stewart-Jones, H.1505Wang, and A. Williams, ·Synthesis and surface attachment of molecular Re(I) hydride species1506with silatrane functionalized bipyridyl ligands,· Organometallics 42, 2238-2250 (2023).

Institution fields

Peer reviewed: yes
First author: Jia
Co-authors: X. Jia; K. Cui; J. L. Alvarez-Hernandez; C. L. Donley; A. Gang; S. Hammes-Schiffer; N. Hazari; S. Jeon; J. M. Mayer; H. S. Nedzbala; B. Shang; E. A. Stach; E. Stewart-Jones; H. Wang; A. Williams
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex
title cv	Synthesis and surface attachment of molecular Re(I) hydride species with silatrane functionalized bipyridyl ligands	Synthesis and Surface Attachment of Molecular Re(I) Hydride Species with Silatrane Functionalized Bipyridyl Ligands
year cv	2023	2023
venue crossref	Organometallics	Organometallics
kind cv	article	article
DOI crossref	10.1021/acs.organomet.3c00235	10.1021/acs.organomet.3c00235
first author openalex	Jia	Jia

Citations

OpenAlex: 19
Scholar: none
DOI: 10.1021/acs.organomet.3c00235
OpenAlex: W4385856185

Match decisions

No decision recorded; a single record.

2022 Analytical gradients for nuclear-electronic orbital multistate density functional theory: Geometry optimizations and reaction paths The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1388–1390 · CV · published

1388319. Q. Yu, P. E. Schneider, and S. Hammes-Schiffer, ·Analytical gradients for1389nuclear-electronic orbital multistate density functional theory: Geometry optimizations and1390reaction paths,· J. Chem. Phys. 156, 114115 (2022).

Institution fields

Peer reviewed: yes
First author: Yu
Co-authors: Q. Yu; P. E. Schneider; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Analytical gradients for nuclear-electronic orbital multistate density functional theory: Geometry optimizations and reaction paths
year cv	2022
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0085344
first author cv	Yu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0085344

Match decisions

No decision recorded; a single record.

2022 Cavity-modulated proton transfer reactions Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1399–1400 · CV · published

1399324. F. Pavo·evi·, S. Hammes-Schiffer, A. Rubio, and J. Flick, ·Cavity-modulated proton1400transfer reactions,· J. Am. Chem. Soc. 144, 4995-5002 (2022).

Institution fields

Peer reviewed: yes
First author: Pavo·evi·
Co-authors: F. Pavo·evi·; S. Hammes-Schiffer; A. Rubio; J. Flick
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Cavity-modulated proton transfer reactions	Cavity-modulated proton transfer reactions
year cv	2022	2022
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.1c13201
first author cv	Pavo·evi·	Pavošević

Citations

OpenAlex: none
Scholar: 87
DOI: 10.1021/jacs.1c13201

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Correlation between electronic descriptor and proton-coupled electron transfer thermodynamics in doped graphite-conjugated catalysts The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1438–1440 · CV · published

1438338. P. Hutchison, R. E. Warburton, Y. Surendranath, and S. Hammes-Schiffer, ·Correlation1439between electronic descriptor and proton-coupled electron transfer thermodynamics in doped1440graphite-conjugated catalysts,· J. Phys. Chem. Lett. 13, 11216-11222 (2022).

Institution fields

Peer reviewed: yes
First author: Hutchison
Co-authors: P. Hutchison; R. E. Warburton; Y. Surendranath; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Correlation between electronic descriptor and proton-coupled electron transfer thermodynamics in doped graphite-conjugated catalysts
year cv	2022
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.2c03278
first author cv	Hutchison

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.2c03278

Match decisions

No decision recorded; a single record.

2022 Detecting the first hydration shell structure around biomolecules at interfaces ACS Central Science article journal CV OA GS

CV span

lines 1430–1432 · CV · published

1430335. D. Konstantinovsky, E. A. Perets, T. Santiago, L. Velarde, S. Hammes-Schiffer, and E. C.1431Y. Yan, ·Detecting the first hydration shell structure around biomolecules at interfaces,·1432ACS Cent. Sci. 8, 1404-1414 (2022).

Institution fields

Peer reviewed: yes
First author: Konstantinovsky
Co-authors: D. Konstantinovsky; E. A. Perets; T. Santiago; L. Velarde; S. Hammes-Schiffer; E. C. Y. Yan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Detecting the first hydration shell structure around biomolecules at interfaces	Detecting the First Hydration Shell Structure around Biomolecules at Interfaces	Detecting the first hydration shell structure around biomolecules at interfaces
year cv	2022	2022	2022
venue crossref	ACS Cent. Sci.	ACS Central Science	ACS Central Science	ACS Central Science
kind cv	article	article	other
DOI crossref	10.1021/acscentsci.2c00702	10.1021/acscentsci.2c00702
first author openalex	Konstantinovsky	Konstantinovsky	Konstantinovsky

Citations

OpenAlex: 62
Scholar: 67
DOI: 10.1021/acscentsci.2c00702
OpenAlex: W4294733073

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Electrocatalysis in alkaline media and alkaline membrane-based energy technologies Chemical Reviews article journal CV OA GS

CV span

lines 1393–1394 · CV · published

1393321. Y. Yang et al., ·Electrocatalysis in alkaline media and alkaline membrane-based energy1394technologies,· Chem. Rev. 122, 6117-6321 (2022).

Institution fields

Peer reviewed: yes
First author: Yang
Co-authors: none
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Electrocatalysis in alkaline media and alkaline membrane-based energy technologies	Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies	Electrocatalysis in alkaline media and alkaline membrane-based energy technologies
year cv	2022	2022	2022
venue crossref	Chem. Rev.	Chemical Reviews	Chemical reviews	Chemical Reviews
kind cv	article	review	other
DOI crossref	10.1021/acs.chemrev.1c00331	10.1021/acs.chemrev.1c00331
first author openalex	Yang	Yang	Yang

Citations

OpenAlex: 534
Scholar: 554
DOI: 10.1021/acs.chemrev.1c00331
OpenAlex: W4210862584

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Kinetic model for reversible radical transfer in ribonucleotide reductase Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 1415–1417 · CV · published

1415330. C. R. Reinhardt, D. Konstantinovsky, A. V. Soudackov, and S. Hammes-Schiffer, ·Kinetic1416model for reversible radical transfer in ribonucleotide reductase,· Proc. Nat. Acad. Sci. USA1417119, e2202022119 (2022).

Institution fields

Peer reviewed: yes
First author: Reinhardt
Co-authors: C. R. Reinhardt; D. Konstantinovsky; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Kinetic model for reversible radical transfer in ribonucleotide reductase
year cv	2022
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences
kind cv	article
DOI crossref	10.1073/pnas.2202022119
first author cv	Reinhardt

Citations

OpenAlex: none
Scholar: none
DOI: 10.1073/pnas.2202022119

Match decisions

No decision recorded; a single record.

2022 Managing the redox potential of PCET in Grotthuss-type proton wires Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1427–1429 · CV · published

1427334. E. Odella, M. Secor, E. A. R. Cruz, W. D. Guerra, M. N. Urrutia, P. A. Liddell, T. A.1428Moore, G. F. Moore, S. Hammes-Schiffer, and A. L. Moore, ·Managing the redox potential of1429PCET in Grotthuss-type proton wires,· J. Am. Chem. Soc. 144, 15672-15679 (2022).

Institution fields

Peer reviewed: yes
First author: Odella
Co-authors: E. Odella; M. Secor; E. A. R. Cruz; W. D. Guerra; M. N. Urrutia; P. A. Liddell; T. A. Moore; G. F. Moore; S. Hammes-Schiffer; A. L. Moore
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Managing the redox potential of PCET in Grotthuss-type proton wires
year cv	2022
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.2c05820
first author cv	Odella

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.2c05820

Match decisions

No decision recorded; a single record.

2022 Multicomponent orbital optimized perturbation theory with density fitting: Anharmonic zero-point energies in protonated water clusters The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1412–1414 · CV · published

1412329. J. H. Fetherolf, F. Pavo·evi·, Z. Tao, and S. Hammes-Schiffer, ·Multicomponent orbital1413optimized perturbation theory with density fitting: Anharmonic zero-point energies in1414protonated water clusters,· J. Phys. Chem. Lett. 13, 5563-5570 (2022).

Institution fields

Peer reviewed: yes
First author: Fetherolf
Co-authors: J. H. Fetherolf; F. Pavo·evi·; Z. Tao; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Multicomponent orbital optimized perturbation theory with density fitting: Anharmonic zero-point energies in protonated water clusters
year cv	2022
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.2c01357
first author cv	Fetherolf

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.2c01357

Match decisions

No decision recorded; a single record.

2022 Multidimensional quantum dynamical simulation of infrared spectra under polaritonic vibrational strong coupling The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1441–1443 · CV · published

1441339. Q. Yu and S. Hammes-Schiffer, ·Multidimensional quantum dynamical simulation of infrared1442spectra under polaritonic vibrational strong coupling,· J. Phys. Chem. Lett. 13, 11253-112611443(2022).

Institution fields

Peer reviewed: yes
First author: Yu
Co-authors: Q. Yu; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Multidimensional quantum dynamical simulation of infrared spectra under polaritonic vibrational strong coupling
year cv	2022
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.2c03245
first author cv	Yu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.2c03245

Match decisions

No decision recorded; a single record.

2022 Multilevel computational studies reveal importance of axial ligand for oxygen reduction reaction on Fe-N-C materials Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1424–1426 · CV · published

1424333. P. Hutchison, P. S. Rice, R. E. Warburton, S. Raugei, and S. Hammes-Schiffer,1425·Multilevel computational studies reveal importance of axial ligand for oxygen reduction1426reaction on Fe-N-C materials,· J. Am. Chem. Soc. 144, 16524-16534 (2022).

Institution fields

Peer reviewed: yes
First author: Hutchison
Co-authors: P. Hutchison; P. S. Rice; R. E. Warburton; S. Raugei; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multilevel computational studies reveal importance of axial ligand for oxygen reduction reaction on Fe-N-C materials	Multilevel computational studies reveal the importance of axial ligand for oxygen reduction reaction on Fe–N–C materials
year cv	2022	2022
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.2c05779
first author cv	Hutchison	Hutchison

Citations

OpenAlex: none
Scholar: 91
DOI: 10.1021/jacs.2c05779

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Nonadiabatic dynamics of hydrogen tunneling with nuclear-electronic orbital multistate density functional theory Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1444–1446 · CV · published

1444340. Q. Yu, S. Roy, and S. Hammes-Schiffer, ·Nonadiabatic dynamics of hydrogen tunneling with1445nuclear-electronic orbital multistate density functional theory,· J. Chem. Theory Comput. 18,14467132-7141 (2022).

Institution fields

Peer reviewed: yes
First author: Yu
Co-authors: Q. Yu; S. Roy; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nonadiabatic dynamics of hydrogen tunneling with nuclear-electronic orbital multistate density functional theory
year cv	2022
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.2c00938
first author cv	Yu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.2c00938

Match decisions

No decision recorded; a single record.

2022 Nuclear-electronic orbital approach to quantization of protons in periodic electronic structure calculations The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1409–1411 · CV · published

1409328. J. Xu, R. Zhou, Z. Tao, C. Malbon, V. Blum, S. Hammes-Schiffer, and Y. Kanai,1410·Nuclear-electronic orbital approach to quantization of protons in periodic electronic1411structure calculations,· J. Chem. Phys. 156, 224111 (2022).

Institution fields

Peer reviewed: yes
First author: Xu
Co-authors: J. Xu; R. Zhou; Z. Tao; C. Malbon; V. Blum; S. Hammes-Schiffer; Y. Kanai
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital approach to quantization of protons in periodic electronic structure calculations
year cv	2022
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0088427
first author cv	Xu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0088427

Match decisions

No decision recorded; a single record.

2022 Proton-coupled energy transfer in molecular triads Science article journal CV OA GS

CV span

lines 1418–1420 · CV · published

1418331. B. P. Rimgard, Z. Tao, G. A. Parada, L. F. Cotter, S. Hammes-Schiffer, J. M. Mayer, and1419L. Hammarström, ·Proton-coupled energy transfer in molecular triads,· Science 377, 742-7471420(2022).

Institution fields

Peer reviewed: yes
First author: Rimgard
Co-authors: B. P. Rimgard; Z. Tao; G. A. Parada; L. F. Cotter; S. Hammes-Schiffer; J. M. Mayer; L. Hammarström
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Proton-coupled energy transfer in molecular triads	Proton-coupled energy transfer in molecular triads
year cv	2022	2022
venue crossref	Science	Science
kind cv	article	other
DOI crossref	10.1126/science.abq5173
first author cv	Rimgard	Rimgard

Citations

OpenAlex: none
Scholar: 54
DOI: 10.1126/science.abq5173

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Quantum Simulations of Vibrational Strong Coupling via Path Integrals The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1404–1405 · CV · published

1404326. T. E. Li, A. Nitzan, S. Hammes-Schiffer, and J. E. Subotnik, ·Quantum simulations of1405vibrational strong coupling via path integrals,· J. Phys. Chem. Lett. 13, 3890-3895 (2022).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; A. Nitzan; S. Hammes-Schiffer; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Quantum simulations of vibrational strong coupling via path integralsQuantum Simulations of Vibrational Strong Coupling via Path Integrals	Quantum Simulations of Vibrational Strong Coupling via Path Integrals
year cv	20222022	2022
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	articlearticle	article
DOI cv	10.1021/acs.jpclett.2c0061310.1021/acs.jpclett.2c00613	10.1021/acs.jpclett.2c00613
first author openalex	Li	Li

Citations

OpenAlex: 31
Scholar: 32
DOI: 10.1021/acs.jpclett.2c00613
OpenAlex: W4226212711

Match decisions

No decision recorded; a single record.

2022 Reorganization energies for interfacial proton-coupled electron transfer to a water oxidation catalyst Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1435–1437 · CV · published

1435337. M. Kessinger, A. V. Soudackov, J. Schneider, R. E. Bangle, S. Hammes-Schiffer, and G. J.1436Meyer, ·Reorganization energies for interfacial proton-coupled electron transfer to a water1437oxidation catalyst,· J. Am. Chem. Soc. 144, 20514-20524 (2022).

Institution fields

Peer reviewed: yes
First author: Kessinger
Co-authors: M. Kessinger; A. V. Soudackov; J. Schneider; R. E. Bangle; S. Hammes-Schiffer; G. J. Meyer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Reorganization energies for interfacial proton-coupled electron transfer to a water oxidation catalyst
year cv	2022
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.2c09672
first author cv	Kessinger

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.2c09672

Match decisions

No decision recorded; a single record.

2022 Role of water in proton-coupled electron transfer between tyrosine and cysteine in ribonucleotide reductase Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1401–1403 · CV · published

1401325. J. Zhong, C. R. Reinhardt, and S. Hammes-Schiffer, ·Role of water in proton-coupled1402electron transfer between tyrosine and cysteine in ribonucleotide reductase,· J. Am. Chem.1403Soc. 144, 7208-7214 (2022).

Institution fields

Peer reviewed: yes
First author: Zhong
Co-authors: J. Zhong; C. R. Reinhardt; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Role of water in proton-coupled electron transfer between tyrosine and cysteine in ribonucleotide reductase
year cv	2022
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.1c13455
first author cv	Zhong

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.1c13455

Match decisions

No decision recorded; a single record.

2022 Semiclassical real-time nuclear-electronic orbital approach for molecular polaritons: Unified theory of electronic and vibrational strong couplings Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1406–1408 · CV · published

1406327. T. E. Li, Z. Tao, and S. Hammes-Schiffer, ·Semiclassical real-time nuclear-electronic1407orbital approach for molecular polaritons: Unified theory of electronic and vibrational1408strong couplings,· J. Chem. Theory Comp. 18, 2774-2784 (2022).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; Z. Tao; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Semiclassical real-time nuclear-electronic orbital approach for molecular polaritons: Unified theory of electronic and vibrational strong couplings
year cv	2022
venue crossref	J. Chem. Theory Comp.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.2c00096
first author cv	Li

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.2c00096

Match decisions

No decision recorded; a single record.

2022 Simultaneous optimization of nuclear-electronic orbitals The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1433–1434 · CV · published

1433336. A. Liu, M. Chow, A. Wildman, M. J. Frisch, S. Hammes-Schiffer, and X. Li, ·Simultaneous1434optimization of nuclear-electronic orbitals,· J. Phys. Chem. A 126, 7033-7039 (2022).

Institution fields

Peer reviewed: yes
First author: Liu
Co-authors: A. Liu; M. Chow; A. Wildman; M. J. Frisch; S. Hammes-Schiffer; X. Li
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Simultaneous optimization of nuclear-electronic orbitals
year cv	2022
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A
kind cv	article
DOI crossref	10.1021/acs.jpca.2c05172
first author cv	Liu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpca.2c05172

Match decisions

No decision recorded; a single record.

2022 Solvated nuclear-electronic orbital structure and dynamics Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1391–1392 · CV · published

1391320. A. Wildman, Z. Tao, L. Zhao, S. Hammes-Schiffer, and X. Li, ·Solvated nuclear-electronic1392orbital structure and dynamics,· J. Chem. Theory Comp. 18, 1340-1346 (2022).

Institution fields

Peer reviewed: yes
First author: Wildman
Co-authors: A. Wildman; Z. Tao; L. Zhao; S. Hammes-Schiffer; X. Li
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Solvated nuclear-electronic orbital structure and dynamics
year cv	2022
venue crossref	J. Chem. Theory Comp.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.1c01285
first author cv	Wildman

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.1c01285

Match decisions

No decision recorded; a single record.

2022 Structural and thermodynamic effects on the kinetics of C·H oxidation by multisite proton-coupled electron transfer in fluorenyl benzoates The Journal of Organic Chemistry article journal CV OA GS

CV span

lines 1384–1387 · CV · published

1384318. B. Koronkiewicz, E. R. Sayfutyarova, S. C. Coste, B. Q. Mercado, S. Hammes-Schiffer, and1385J. M. Mayer, ·Structural and thermodynamic effects on the kinetics of C·H oxidation by1386multisite proton-coupled electron transfer in fluorenyl benzoates,· J. Org. Chem. 87,13872997-3006 (2022).

Institution fields

Peer reviewed: yes
First author: Koronkiewicz
Co-authors: B. Koronkiewicz; E. R. Sayfutyarova; S. C. Coste; B. Q. Mercado; S. Hammes-Schiffer; J. M. Mayer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Structural and thermodynamic effects on the kinetics of C·H oxidation by multisite proton-coupled electron transfer in fluorenyl benzoates
year cv	2022
venue crossref	J. Org. Chem.	The Journal of Organic Chemistry
kind cv	article
DOI crossref	10.1021/acs.joc.1c02834
first author cv	Koronkiewicz

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.joc.1c02834

Match decisions

No decision recorded; a single record.

2022 Theoretical modeling of electrochemical proton-coupled electron transfer Chemical Reviews article journal CV OA GS

CV span

lines 1397–1398 · CV · published

1397323. R. E. Warburton, A. V. Soudackov, and S. Hammes-Schiffer, ·Theoretical modeling of1398electrochemical proton-coupled electron transfer,· Chem. Rev. 122, 10599-10650 (2022).

Institution fields

Peer reviewed: yes
First author: Warburton
Co-authors: R. E. Warburton; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical modeling of electrochemical proton-coupled electron transfer	Theoretical modeling of electrochemical proton-coupled electron transfer
year cv	2022	2022
venue crossref	Chem. Rev.	Chemical reviews	Chemical Reviews
kind cv	article	other
DOI crossref	10.1021/acs.chemrev.1c00929
first author cv	Warburton	Warburton

Citations

OpenAlex: none
Scholar: 357
DOI: 10.1021/acs.chemrev.1c00929

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Theoretical perspectives on non-Born-Oppenheimer effects in chemistry Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences article journal CV OA GS

CV span

lines 1395–1396 · CV · published

1395322. S. Hammes-Schiffer, ·Theoretical perspectives on non-Born-Oppenheimer effects in1396chemistry,· Phil. Trans. R. Soc. A 380, 20200377 (2022).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Theoretical perspectives on non-Born-Oppenheimer effects in chemistry
year cv	2022
venue crossref	Phil. Trans. R. Soc. A	Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
kind cv	article
DOI crossref	10.1098/rsta.2020.0377
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1098/rsta.2020.0377

Match decisions

No decision recorded; a single record.

2022 Triple electron-electron-proton excitations and second-order approximations in nuclear-electronic orbital coupled cluster methods The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1421–1423 · CV · published

1421332. F. Pavo·evi· and S. Hammes-Schiffer, ·Triple electron-electron-proton excitations and1422second-order approximations in nuclear-electronic orbital coupled cluster methods,· J. Chem.1423Phys. 157, 074104 (2022).

Institution fields

Peer reviewed: yes
First author: Pavo·evi·
Co-authors: F. Pavo·evi·; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Triple electron-electron-proton excitations and second-order approximations in nuclear-electronic orbital coupled cluster methods
year cv	2022
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0124697
first author cv	Pavo·evi·

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0124697

Match decisions

No decision recorded; a single record.

2021 Analytical gradients for nuclear-electronic orbital time-dependent density functional theory: Excited state geometry optimizations and adiabatic excitation energies Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1355–1358 · CV · published

1355308. Z. Tao, S. Roy, P. E. Schneider, F. Pavo·evi·, and S. Hammes-Schiffer, ·Analytical1356gradients for nuclear-electronic orbital time-dependent density functional theory: Excited1357state geometry optimizations and adiabatic excitation energies,· J. Chem. Theory Comp. 17,13585110-5122 (2021).

Institution fields

Peer reviewed: yes
First author: Tao
Co-authors: Z. Tao; S. Roy; P. E. Schneider; F. Pavo·evi·; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Analytical gradients for nuclear-electronic orbital time-dependent density functional theory: Excited state geometry optimizations and adiabatic excitation energies
year cv	2021
venue crossref	J. Chem. Theory Comp.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.1c00454
first author cv	Tao

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.1c00454

Match decisions

No decision recorded; a single record.

2021 Artificial neural networks as mappings between proton potentials, wave functions, densities, and energy levels The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1331–1333 · CV · published

1331299. M. Secor, A. V. Soudackov, and S. Hammes-Schiffer, ·Artificial neural networks as1332mappings between proton potentials, wave functions, densities, and energy levels,· J. Phys.1333Chem. Lett. 12, 2206-2212 (2021).

Institution fields

Peer reviewed: yes
First author: Secor
Co-authors: M. Secor; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Artificial neural networks as mappings between proton potentials, wave functions, densities, and energy levels
year cv	2021
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.1c00229
first author cv	Secor

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.1c00229

Match decisions

No decision recorded; a single record.

2021 Artificial neural networks as propagators in quantum dynamics The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1371–1372 · CV · published

1371313. M. Secor, A. V. Soudackov, and S. Hammes-Schiffer, ·Artificial neural networks as1372propagators in quantum dynamics,· J. Phys. Chem. Lett. 12, 10654-10662 (2021).

Institution fields

Peer reviewed: yes
First author: Secor
Co-authors: M. Secor; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Artificial neural networks as propagators in quantum dynamics
year cv	2021
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.1c03117
first author cv	Secor

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.1c03117

Match decisions

No decision recorded; a single record.

2021 Computing proton-coupled redox potentials of fluorotyrosines in a protein environment The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1319–1321 · CV · published

1319295. C. R. Reinhardt, R. Sequeira, C. Tommos, and S. Hammes-Schiffer, ·Computing1320proton-coupled redox potentials of fluorotyrosines in a protein environment,· J. Phys. Chem.1321B. 125, 128-136 (2021).

Institution fields

Peer reviewed: yes
First author: Reinhardt
Co-authors: C. R. Reinhardt; R. Sequeira; C. Tommos; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Computing proton-coupled redox potentials of fluorotyrosines in a protein environment
year cv	2021
venue crossref	J. Phys. Chem. B.	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/acs.jpcb.0c09974
first author cv	Reinhardt

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpcb.0c09974

Match decisions

No decision recorded; a single record.

2021 Direct dynamics with nuclear-electronic orbital density functional theory Accounts of Chemical Research article journal CV OA GS

CV span

lines 1379–1380 · CV · published

1379316. Z. Tao, Q. Yu, S. Roy, and S. Hammes-Schiffer, ·Direct dynamics with nuclear-electronic1380orbital density functional theory,· Acc. Chem. Res. 54, 4131-4141 (2021).

Institution fields

Peer reviewed: yes
First author: Tao
Co-authors: Z. Tao; Q. Yu; S. Roy; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Direct dynamics with nuclear-electronic orbital density functional theory
year cv	2021
venue crossref	Acc. Chem. Res.	Accounts of Chemical Research
kind cv	article
DOI crossref	10.1021/acs.accounts.1c00516
first author cv	Tao

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.accounts.1c00516

Match decisions

No decision recorded; a single record.

2021 Electrocatalytic oxidation of alcohol with cobalt triphosphine complexes ACS Catalysis article journal CV OA GS

CV span

lines 1344–1346 · CV · published

1344304. S. P. Heins, P. E. Schneider, A. L Speelman, S. Hammes-Schiffer, and A. M. Appel,1345·Electrocatalytic oxidation of alcohol with cobalt triphosphine complexes,· ACS Catal. 11,13466384-6389 (2021).

Institution fields

Peer reviewed: yes
First author: Heins
Co-authors: S. P. Heins; P. E. Schneider; A. L Speelman; S. Hammes-Schiffer; A. M. Appel
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Electrocatalytic oxidation of alcohol with cobalt triphosphine complexes
year cv	2021
venue crossref	ACS Catal.	ACS Catalysis
kind cv	article
DOI crossref	10.1021/acscatal.1c00781
first author cv	Heins

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acscatal.1c00781

Match decisions

No decision recorded; a single record.

2021 Excited state intramolecular proton transfer with nuclear-electronic orbital Ehrenfest dynamics The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1334–1336 · CV · published

1334300. L. Zhao, A. Wildman, F. Pavo·evi·, J. C. Tully, S. Hammes-Schiffer, and X. Li, ·Excited1335state intramolecular proton transfer with nuclear-electronic orbital Ehrenfest dynamics,· J.1336Phys. Chem. Lett. 12, 3497-3502 (2021).

Institution fields

Peer reviewed: yes
First author: Zhao
Co-authors: L. Zhao; A. Wildman; F. Pavo·evi·; J. C. Tully; S. Hammes-Schiffer; X. Li
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Excited state intramolecular proton transfer with nuclear-electronic orbital Ehrenfest dynamics	Excited state intramolecular proton transfer with nuclear-electronic orbital Ehrenfest dynamics
year cv	2021	2021
venue crossref	J. Phys. Chem. Lett.	The journal of physical chemistry letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI crossref	10.1021/acs.jpclett.1c00564
first author cv	Zhao	Zhao

Citations

OpenAlex: none
Scholar: 64
DOI: 10.1021/acs.jpclett.1c00564

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Glutamate mediates proton-coupled electron transfer between tyrosines 730 and 731 in Escherichia coli ribonucleotide reductase Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1337–1339 · CV · published

1337301. C. R. Reinhardt, E. Sayfutyarova, J. Zhong, and S. Hammes-Schiffer, ·Glutamate mediates1338proton-coupled electron transfer between tyrosines 730 and 731 in Escherichia coli1339ribonucleotide reductase,· J. Am. Chem. Soc. 143, 6054-6059 (2021).

Institution fields

Peer reviewed: yes
First author: Reinhardt
Co-authors: C. R. Reinhardt; E. Sayfutyarova; J. Zhong; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Glutamate mediates proton-coupled electron transfer between tyrosines 730 and 731 in Escherichia coli ribonucleotide reductase
year cv	2021
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.1c02152
first author cv	Reinhardt

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.1c02152

Match decisions

No decision recorded; a single record.

2021 Hydrogen evolution mediated by cobalt diimine-dioxime complexes: Insights into the role of the ligand acid/base functionalities ChemElectroChem article journal CV OA GS

CV span

lines 1352–1354 · CV · published

1352307. D. Sun, A. K. Harshan, J. Pécaut, S. Hammes-Schiffer, C. Costentin, and V. Artero,1353·Hydrogen evolution mediated by cobalt diimine-dioxime complexes: Insights into the role of1354the ligand acid/base functionalities,· ChemElectroChem 8, 2671-2679 (2021).

Institution fields

Peer reviewed: yes
First author: Sun
Co-authors: D. Sun; A. K. Harshan; J. Pécaut; S. Hammes-Schiffer; C. Costentin; V. Artero
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Hydrogen evolution mediated by cobalt diimine-dioxime complexes: Insights into the role of the ligand acid/base functionalities
year cv	2021
venue cv	ChemElectroChem
kind cv	article
first author cv	Sun

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2021 Integration of theory and experiment in the modelling of heterogeneous electrocatalysis Nature Energy article journal CV OA GS

CV span

lines 1342–1343 · CV · published

1342303. S. Hammes-Schiffer and G. Galli, ·Integration of theory and experiment in the modelling1343of heterogeneous electrocatalysis,· Nat. Energy 6, 700-705 (2021).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; G. Galli
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Integration of theory and experiment in the modelling of heterogeneous electrocatalysis	Integration of theory and experiment in the modelling of heterogeneous electrocatalysis
year cv	2021	2021
venue crossref	Nat. Energy	Nature Energy	Nature Energy
kind cv	article	other
DOI crossref	10.1038/s41560-021-00827-4
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 84
DOI: 10.1038/s41560-021-00827-4

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Investigation of the pKa of the nucleophilic O2· of the hairpin ribozyme The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1373–1375 · CV · published

1373314. A. J. Veenis, P. Li, A. V. Soudackov, S. Hammes-Schiffer, and P. C. Bevilacqua,1374·Investigation of the pKa of the nucleophilic O2· of the hairpin ribozyme,· J. Phys. Chem. B1375125, 11869-11883 (2021).

Institution fields

Peer reviewed: yes
First author: Veenis
Co-authors: A. J. Veenis; P. Li; A. V. Soudackov; S. Hammes-Schiffer; P. C. Bevilacqua
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Investigation of the pKa of the nucleophilic O2· of the hairpin ribozyme
year cv	2021
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/acs.jpcb.1c06546
first author cv	Veenis

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpcb.1c06546

Match decisions

No decision recorded; a single record.

2021 Mechanistic insights about electrochemical proton-coupled electron transfer derived from a vibrational probe Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1347–1349 · CV · published

1347305. S. Sarkar, A. Maitra, W. R. Lake, R. E. Warburton, S. Hammes-Schiffer, and J. M.1348Dawlaty, ·Mechanistic insights about electrochemical proton-coupled electron transfer derived1349from a vibrational probe,· J. Am. Chem. Soc. 143, 8381-8390 (2021).

Institution fields

Peer reviewed: yes
First author: Sarkar
Co-authors: S. Sarkar; A. Maitra; W. R. Lake; R. E. Warburton; S. Hammes-Schiffer; J. M. Dawlaty
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Mechanistic insights about electrochemical proton-coupled electron transfer derived from a vibrational probe
year cv	2021
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.1c01977
first author cv	Sarkar

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.1c01977

Match decisions

No decision recorded; a single record.

2021 Multicapacitor approach to interfacial proton-coupled electron transfer thermodynamics at constant potential The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 1365–1367 · CV · published

1365311. P. Hutchison, R. E. Warburton, A. V. Soudackov, and S. Hammes-Schiffer, ·Multicapacitor1366approach to interfacial proton-coupled electron transfer thermodynamics at constant1367potential,· J. Phys. Chem. C 125, 21891-21901 (2021).

Institution fields

Peer reviewed: yes
First author: Hutchison
Co-authors: P. Hutchison; R. E. Warburton; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Multicapacitor approach to interfacial proton-coupled electron transfer thermodynamics at constant potential
year cv	2021
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C
kind cv	article
DOI crossref	10.1021/acs.jpcc.1c04464
first author cv	Hutchison

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpcc.1c04464

Match decisions

No decision recorded; a single record.

2021 Multicomponent coupled cluster singles and doubles with density fitting: Protonated water tetramers with quantized protons The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1328–1330 · CV · published

1328298. F. Pavo·evi·, Z. Tao, and S. Hammes-Schiffer, ·Multicomponent coupled cluster singles1329and doubles with density fitting: Protonated water tetramers with quantized protons,· J.1330Phys. Chem. Lett. 12, 1631-1637 (2021).

Institution fields

Peer reviewed: yes
First author: Pavo·evi·
Co-authors: F. Pavo·evi·; Z. Tao; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Multicomponent coupled cluster singles and doubles with density fitting: Protonated water tetramers with quantized protons
year cv	2021
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.0c03771
first author cv	Pavo·evi·

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.0c03771

Match decisions

No decision recorded; a single record.

2021 Multicomponent unitary coupled cluster and equation-of-motion for quantum computation Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1340–1341 · CV · published

1340302. F. Pavo·evi· and S. Hammes-Schiffer, ·Multicomponent unitary coupled cluster and1341equation-of-motion for quantum computation,· J. Chem. Theory Comp. 17, 3252-3258 (2021).

Institution fields

Peer reviewed: yes
First author: Pavo·evi·
Co-authors: F. Pavo·evi·; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Multicomponent unitary coupled cluster and equation-of-motion for quantum computation
year cv	2021
venue crossref	J. Chem. Theory Comp.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.1c00220
first author cv	Pavo·evi·

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.1c00220

Match decisions

No decision recorded; a single record.

2021 Multi PCET in symmetrically substituted benzimidazoles Chemical Science article journal CV OA GS

CV span

lines 1368–1370 · CV · published

1368312. E. Odella, M. Secor, M. Elliot, T. L. Groy, T. A. Moore, S. Hammes-Schiffer, and A. L.1369Moore, ·Multi PCET in symmetrically substituted benzimidazoles,· Chem. Sci. 12, 12667-126751370(2021).

Institution fields

Peer reviewed: yes
First author: Odella
Co-authors: E. Odella; M. Secor; M. Elliot; T. L. Groy; T. A. Moore; S. Hammes-Schiffer; A. L. Moore
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Multi PCET in symmetrically substituted benzimidazoles
year cv	2021
venue crossref	Chem. Sci.	Chemical Science
kind cv	article
DOI crossref	10.1039/d1sc03782j
first author cv	Odella

Citations

OpenAlex: none
Scholar: none
DOI: 10.1039/d1sc03782j

Match decisions

No decision recorded; a single record.

2021 Nuclear-electronic orbital methods: Foundations and prospects The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1350–1351 · CV · published

1350306. S. Hammes-Schiffer, ·Nuclear-electronic orbital methods: Foundations and prospects,· J.1351Chem. Phys. 155, 030901 (2021). Featured on the cover.

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nuclear-electronic orbital methods: Foundations and prospects	Nuclear–electronic orbital methods: Foundations and prospects
year cv	2021	2021
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/5.0053576
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 92
DOI: 10.1063/5.0053576

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Proton-coupled defects impact O·H bond dissociation free energies on metal oxide surfaces The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1362–1364 · CV · published

1362310. R. E. Warburton, J. M. Mayer, and S. Hammes-Schiffer, ·Proton-coupled defects impact O·H1363bond dissociation free energies on metal oxide surfaces,· J. Phys. Chem. Lett. 12, 9761-97671364(2021).

Institution fields

Peer reviewed: yes
First author: Warburton
Co-authors: R. E. Warburton; J. M. Mayer; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Proton-coupled defects impact O·H bond dissociation free energies on metal oxide surfaces
year cv	2021
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.1c02837
first author cv	Warburton

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.1c02837

Match decisions

No decision recorded; a single record.

2021 Simulation of the Chiral Sum Frequency Generation Response of Supramolecular Structures Requires Vibrational Couplings The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1376–1378 · CV · published

1376315. D. Konstantinovsky, E. A. Perets, E. C. Y. Yan, and S. Hammes-Schiffer, ·Simulation of1377the chiral sum frequency generation response of supramolecular structures requires1378vibrational couplings,· J. Phys. Chem. B 125, 12072-12081 (2021).

Institution fields

Peer reviewed: yes
First author: Konstantinovsky
Co-authors: D. Konstantinovsky; E. A. Perets; E. C. Y. Yan; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Simulation of the chiral sum frequency generation response of supramolecular structures requires vibrational couplingsSimulation of the Chiral Sum Frequency Generation Response of Supramolecular Structures Requires Vibrational Couplings	Simulation of the Chiral Sum Frequency Generation Response of Supramolecular Structures Requires Vibrational Couplings
year cv	20212021	2021
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	articlearticle	article
DOI crossref	10.1021/acs.jpcb.1c06360	10.1021/acs.jpcb.1c06360	10.1021/acs.jpcb.1c06360
first author openalex	Konstantinovsky	Konstantinovsky

Citations

OpenAlex: 20
Scholar: none
DOI: 10.1021/acs.jpcb.1c06360
OpenAlex: W3208941569

Match decisions

No decision recorded; a single record.

2021 Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1359–1361 · CV · published

1359309. E. Epifanovsky et al. (Q-Chem collaboration), ·Software for the frontiers of quantum1360chemistry: An overview of developments in the Q-Chem 5 package,· J. Chem. Phys. 155, 0848011361(2021).

Institution fields

Peer reviewed: yes
First author: Epifanovsky
Co-authors: none
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package	Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
year cv	20212021	2021
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	articlearticle	article
DOI cv	10.1063/5.0055522	10.1063/5.0055522
first author openalex	Epifanovsky	Epifanovsky

Citations

OpenAlex: 1414
Scholar: 1577
DOI: 10.1063/5.0055522
OpenAlex: W3193988690

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Theoretical description of the primary proton-coupled electron transfer reaction in the cytochrome bc1 complex Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1322–1324 · CV · published

1322296. A. Barragan, A. V. Soudackov, Z. Luthey-Schulten, S. Hammes-Schiffer, K. Schulten, and1323I. Solov·yov, ·Theoretical description of the primary proton-coupled electron transfer1324reaction in the cytochrome bc1 complex,· J. Am. Chem. Soc. 143, 715-723 (2021).

Institution fields

Peer reviewed: yes
First author: Barragan
Co-authors: A. Barragan; A. V. Soudackov; Z. Luthey-Schulten; S. Hammes-Schiffer; K. Schulten; I. Solov·yov
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical description of the primary proton-coupled electron transfer reaction in the cytochrome bc1 complex	Theoretical description of the primary proton-coupled electron transfer reaction in the cytochrome bc1 complex
year cv	2021	2021
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.0c07799
first author cv	Barragan	Barragan

Citations

OpenAlex: none
Scholar: 48
DOI: 10.1021/jacs.0c07799

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Transition states, reaction paths, and thermochemistry using the nuclear-electronic orbital analytic Hessian The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1325–1327 · CV · published

1325297. P. E. Schneider, Z. Tao, F. Pavo·evi·, E. Epifanovsky, X. Feng, and S. Hammes-Schiffer,1326·Transition states, reaction paths, and thermochemistry using the nuclear-electronic orbital1327analytic Hessian,· J. Chem. Phys. 154, 054108 (2021).

Institution fields

Peer reviewed: yes
First author: Schneider
Co-authors: P. E. Schneider; Z. Tao; F. Pavo·evi·; E. Epifanovsky; X. Feng; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Transition states, reaction paths, and thermochemistry using the nuclear-electronic orbital analytic Hessian
year cv	2021
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/5.0033540
first author cv	Schneider

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/5.0033540

Match decisions

No decision recorded; a single record.

2021 Understanding hydrogen atom and hydride transfer processes during electrochemical alcohol and aldehyde oxidation ACS Catalysis article journal CV OA GS

CV span

lines 1381–1383 · CV · published

1381317. M. T. Bender, R. Warburton, S. Hammes-Schiffer, and K.-S. Choi, ·Understanding hydrogen1382atom and hydride transfer processes during electrochemical alcohol and aldehyde oxidation,·1383ACS Catal. 11, 15110-15124 (2021).

Institution fields

Peer reviewed: yes
First author: Bender
Co-authors: M. T. Bender; R. Warburton; S. Hammes-Schiffer; K.-S. Choi
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Understanding hydrogen atom and hydride transfer processes during electrochemical alcohol and aldehyde oxidation	Understanding hydrogen atom and hydride transfer processes during electrochemical alcohol and aldehyde oxidation
year cv	2021	2021
venue crossref	ACS Catal.	ACS Catalysis	ACS Catalysis
kind cv	article	other
DOI crossref	10.1021/acscatal.1c04163
first author cv	Bender	Bender

Citations

OpenAlex: none
Scholar: 109
DOI: 10.1021/acscatal.1c04163

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Advances and challenges for experiment and theory for multi-electron multi-proton at electrified solid-liquid interfaces Physical Chemistry Chemical Physics article journal CV OA GS

CV span

lines 1289–1291 · CV · published

1289285. K. Sakaushi, T. Kumeda, S. Hammes-Schiffer, M. M. Melander, and O. Sugino, ·Advances and1290challenges for experiment and theory for multi-electron multi-proton at electrified1291solid-liquid interfaces,· Phys. Chem. Chem. Phys. 22, 19401-19442 (2020).

Institution fields

Peer reviewed: yes
First author: Sakaushi
Co-authors: K. Sakaushi; T. Kumeda; S. Hammes-Schiffer; M. M. Melander; O. Sugino
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Advances and challenges for experiment and theory for multi-electron multi-proton at electrified solid-liquid interfaces	Advances and challenges for experiment and theory for multi-electron multi-proton transfer at electrified solid–liquid interfaces
year cv	2020	2020
venue crossref	Phys. Chem. Chem. Phys.	Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics
kind cv	article	other
DOI crossref	10.1039/d0cp02741c
first author cv	Sakaushi	Sakaushi

Citations

OpenAlex: none
Scholar: 69
DOI: 10.1039/d0cp02741c

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Bioinspiration in light harvesting and catalysis Nature Reviews Materials article journal CV OA GS

CV span

lines 1281–1285 · CV · published

1281283. A. Proppe, Y. Li, A. Aspuru-Guzik, C. Berlinguette, C. Chang, R. Cogdell, A. Doyle, J.1282Flick, N. Gabor, R. van Grondelle, S. Hammes-Schiffer, S. Jaffer, S. Kelley, M. Leclerc, K.1283Leo, T. Mallouk, P. Narang, G. Schlau-Cohen, G. Scholes, A. Vojvodic, V. W. W. Yam, J. Yang,1284and E. Sargent, ·Bioinspiration in light harvesting and catalysis,· Nat. Rev. Mater. 5,1285828-846 (2020).

Institution fields

Peer reviewed: yes
First author: Proppe
Co-authors: A. Proppe; Y. Li; A. Aspuru-Guzik; C. Berlinguette; C. Chang; R. Cogdell; A. Doyle; J. Flick; N. Gabor; R. van Grondelle; S. Hammes-Schiffer; S. Jaffer; S. Kelley; M. Leclerc; K. Leo; T. Mallouk; P. Narang; G. Schlau-Cohen; G. Scholes; A. Vojvodic; V. W. W. Yam; J. Yang; E. Sargent
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Bioinspiration in light harvesting and catalysis	Bioinspiration in light harvesting and catalysis
year cv	2020	2020
venue crossref	Nat. Rev. Mater.	Nature Reviews Materials	Nature Reviews Materials
kind cv	article	other
DOI crossref	10.1038/s41578-020-0222-0
first author cv	Proppe	Proppe

Citations

OpenAlex: none
Scholar: 301
DOI: 10.1038/s41578-020-0222-0

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Conformational motions and water networks at the ·/· interface in E. coli ribonucleotide reductase Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1269–1271 · CV · published

1269279. C. R. Reinhardt, P. Li, G. Kang, J. Stubbe, C. L. Drennan, and S. Hammes-Schiffer,1270·Conformational motions and water networks at the ·/· interface in E. coli ribonucleotide1271reductase,· J. Am. Chem. Soc. 142, 13768-13778 (2020).

Institution fields

Peer reviewed: yes
First author: Reinhardt
Co-authors: C. R. Reinhardt; P. Li; G. Kang; J. Stubbe; C. L. Drennan; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Conformational motions and water networks at the ·/· interface in E. coli ribonucleotide reductase
year cv	2020
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.0c04325
first author cv	Reinhardt

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.0c04325

Match decisions

No decision recorded; a single record.

2020 Development of nuclear basis sets for multicomponent quantum chemistry methods The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1272–1273 · CV · published

1272280. Q. Yu, F. Pavo·evi·, and S. Hammes-Schiffer, ·Development of nuclear basis sets for1273multicomponent quantum chemistry methods,· J. Chem. Phys. 152, 244123 (2020).

Institution fields

Peer reviewed: yes
First author: Yu
Co-authors: Q. Yu; F. Pavo·evi·; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Development of nuclear basis sets for multicomponent quantum chemistry methods	Development of nuclear basis sets for multicomponent quantum chemistry methods
year cv	2020	2020
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/5.0009233
first author cv	Yu	Yu

Citations

OpenAlex: none
Scholar: 118
DOI: 10.1063/5.0009233

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Environmental effects on guaninethymine mispair tautomerization explored with quantum mechanical/molecular mechanical free energy simulations Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1262–1264 · CV · published

1262277. P. Li, A. Rangadurai, H. M. Al-Hashimi, and S. Hammes-Schiffer, ·Environmental effects1263on guaninethymine mispair tautomerization explored with quantum mechanical/molecular1264mechanical free energy simulations,· J. Am. Chem. Soc. 142, 11183-11191 (2020).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: P. Li; A. Rangadurai; H. M. Al-Hashimi; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Environmental effects on guaninethymine mispair tautomerization explored with quantum mechanical/molecular mechanical free energy simulations
year cv	2020
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.0c03774
first author cv	Li

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.0c03774

Match decisions

No decision recorded; a single record.

2020 Examining the mechanism of phosphite dehydrogenase with quantum mechanical/molecular mechanical free energy simulations Biochemistry article journal CV OA GS

CV span

lines 1243–1245 · CV · published

1243271. D. R. Stevens and S. Hammes-Schiffer, ·Examining the mechanism of phosphite1244dehydrogenase with quantum mechanical/molecular mechanical free energy simulations,·1245Biochemistry 59, 943-954 (2020).

Institution fields

Peer reviewed: yes
First author: Stevens
Co-authors: D. R. Stevens; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Examining the mechanism of phosphite dehydrogenase with quantum mechanical/molecular mechanical free energy simulations
year cv	2020
venue crossref	Biochemistry
kind cv	article
DOI crossref	10.1021/acs.biochem.9b01089
first author cv	Stevens

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.biochem.9b01089

Match decisions

No decision recorded; a single record.

2020 Excited state molecular dynamics of photoinduced proton-coupled electron transfer in anthracene-phenol-pyridine triads The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1286–1288 · CV · published

1286284. E. R. Sayfutyarova and S. Hammes-Schiffer, ·Excited state molecular dynamics of1287photoinduced proton-coupled electron transfer in anthracene-phenol-pyridine triads,· J. Phys.1288Chem. Lett. 11, 7109-7115 (2020).

Institution fields

Peer reviewed: yes
First author: Sayfutyarova
Co-authors: E. R. Sayfutyarova; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Excited state molecular dynamics of photoinduced proton-coupled electron transfer in anthracene-phenol-pyridine triads
year cv	2020
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.0c02012
first author cv	Sayfutyarova

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.0c02012

Match decisions

No decision recorded; a single record.

2020 Formation of an unusual glutamine tautomer in a blue-light using flavin photocycle characterizes the light-adapted state Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 1295–1297 · CV · published

1295287. J. J. Goings, P. Li, Q. Zhu, and S. Hammes-Schiffer, ·Formation of an unusual glutamine1296tautomer in a blue-light using flavin photocycle characterizes the light-adapted state,·1297Proc. Nat. Acad. Sci. USA 117, 26626-26632 (2020).

Institution fields

Peer reviewed: yes
First author: Goings
Co-authors: J. J. Goings; P. Li; Q. Zhu; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Formation of an unusual glutamine tautomer in a blue-light using flavin photocycle characterizes the light-adapted state	Formation of an unusual glutamine tautomer in a blue light using flavin photocycle characterizes the light-adapted state
year cv	2020	2020
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	other
DOI crossref	10.1073/pnas.2016719117
first author cv	Goings	Goings

Citations

OpenAlex: none
Scholar: 50
DOI: 10.1073/pnas.2016719117

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Frequency and time domain nuclear-electronic orbital equation-of-motion coupled cluster methods: Combination bands and electronic-protonic double excitations The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1277–1280 · CV · published

1277282. F. Pavo·evi·, Z. Tao, T. Culpitt, L. Zhao, X. Li, and S. Hammes-Schiffer, ·Frequency and1278time domain nuclear-electronic orbital equation-of-motion coupled cluster methods:1279Combination bands and electronic-protonic double excitations,· J. Phys. Chem. Lett. 11,12806435-6442 (2020).

Institution fields

Peer reviewed: yes
First author: Pavo·evi·
Co-authors: F. Pavo·evi·; Z. Tao; T. Culpitt; L. Zhao; X. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Frequency and time domain nuclear-electronic orbital equation-of-motion coupled cluster methods: Combination bands and electronic-protonic double excitations
year cv	2020
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.0c01891
first author cv	Pavo·evi·

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.0c01891

Match decisions

No decision recorded; a single record.

2020 Inhomogeneity of interfacial electric fields at vibrational probes on electrode surfaces ACS Central Science article journal CV OA GS

CV span

lines 1246–1248 · CV · published

1246272. Z. K. Goldsmith, M. Secor, and S. Hammes-Schiffer, ·Inhomogeneity of interfacial1247electric fields at vibrational probes on electrode surfaces,· ACS Cent. Sci. 6, 304-3111248(2020).

Institution fields

Peer reviewed: yes
First author: Goldsmith
Co-authors: Z. K. Goldsmith; M. Secor; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Inhomogeneity of interfacial electric fields at vibrational probes on electrode surfaces	Inhomogeneity of interfacial electric fields at vibrational probes on electrode surfaces
year cv	2020	2020
venue crossref	ACS Cent. Sci.	ACS central science	ACS Central Science
kind cv	article	other
DOI crossref	10.1021/acscentsci.9b01297
first author cv	Goldsmith	Goldsmith

Citations

OpenAlex: none
Scholar: 68
DOI: 10.1021/acscentsci.9b01297

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Interfacial field-driven proton-coupled electron transfer at graphite-conjugated organic acids Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1300–1302 · CV · published

1300289. R. E. Warburton, P. Hutchison, M. N. Jackson, M. L. Pegis, Y. Surendranath, and S.1301Hammes-Schiffer, ·Interfacial field-driven proton-coupled electron transfer at1302graphite-conjugated organic acids,· J. Am. Chem. Soc. 142, 20855-20864 (2020).

Institution fields

Peer reviewed: yes
First author: Warburton
Co-authors: R. E. Warburton; P. Hutchison; M. N. Jackson; M. L. Pegis; Y. Surendranath; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Interfacial field-driven proton-coupled electron transfer at graphite-conjugated organic acids	Interfacial field-driven proton-coupled electron transfer at graphite-conjugated organic acids
year cv	2020	2020
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.0c10632
first author cv	Warburton	Warburton

Citations

OpenAlex: none
Scholar: 72
DOI: 10.1021/jacs.0c10632

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Mirror-image antiparallel ·-sheets organize water molecules into superstructures with opposite chirality Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 1312–1314 · CV · published

1312293. E. A. Perets, D. Konstantinovsky, L. Fu, J. Chen, H.-F. Wang, S. Hammes-Schiffer, and E.1313C.-Y. Yan, ·Mirror-image antiparallel ·-sheets organize water molecules into superstructures1314with opposite chirality,· Proc. Nat. Acad. Sci. USA 117, 32902-32909 (2020).

Institution fields

Peer reviewed: yes
First author: Perets
Co-authors: E. A. Perets; D. Konstantinovsky; L. Fu; J. Chen; H.-F. Wang; S. Hammes-Schiffer; E. C.-Y. Yan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Mirror-image antiparallel ·-sheets organize water molecules into superstructures with opposite chirality	Mirror-image antiparallel β-sheets organize water molecules into superstructures of opposite chirality
year cv	2020	2020
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	article
DOI crossref	10.1073/pnas.2015567117	10.1073/pnas.2015567117
first author openalex	Perets	Perets

Citations

OpenAlex: 43
Scholar: none
DOI: 10.1073/pnas.2015567117
OpenAlex: W3112908167

Match decisions

No decision recorded; a single record.

2020 Modeling voltammetry curves for proton coupled electron transfer: The importance of nuclear quantum effects The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1259–1261 · CV · published

1259276. A. J. Coffman, W. Dou, S. Hammes-Schiffer, and J. E. Subotnik, ·Modeling voltammetry1260curves for proton coupled electron transfer: The importance of nuclear quantum effects,· J.1261Chem. Phys. 152, 234108 (2020).

Institution fields

Peer reviewed: yes
First author: Coffman
Co-authors: A. J. Coffman; W. Dou; S. Hammes-Schiffer; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Modeling voltammetry curves for proton coupled electron transfer: The importance of nuclear quantum effects
year cv	2020
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI cv	10.1063/5.001041210.1063/5.0010412
first author cv	Coffman

Citations

OpenAlex: none
Scholar: 10
DOI: 10.1063/5.0010412

Match decisions

No decision recorded; a single record.

2020 Multicomponent orbital-optimized perturbation theory methods: Approaching coupled cluster accuracy at lower cost The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1240–1242 · CV · published

1240270. F. Pavo·evi·, B. J. G. Rousseau, and S. Hammes-Schiffer, ·Multicomponent1241orbital-optimized perturbation theory methods: Approaching coupled cluster accuracy at lower1242cost,· J. Phys. Chem. Lett. 11, 1578-1583 (2020).

Institution fields

Peer reviewed: yes
First author: Pavo·evi·
Co-authors: F. Pavo·evi·; B. J. G. Rousseau; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multicomponent orbital-optimized perturbation theory methods: Approaching coupled cluster accuracy at lower cost	Multicomponent orbital-optimized perturbation theory methods: Approaching coupled cluster accuracy at lower cost
year cv	2020	2020
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI crossref	10.1021/acs.jpclett.0c00090
first author cv	Pavo·evi·	Pavošević

Citations

OpenAlex: none
Scholar: 62
DOI: 10.1021/acs.jpclett.0c00090

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Multicomponent quantum chemistry: Integrating electronic and nuclear quantum effects via the nuclear-electronic orbital method Chemical Reviews article journal CV OA GS

CV span

lines 1249–1251 · CV · published

1249273. F. Pavo·evi·, T. Culpitt, and S. Hammes-Schiffer, ·Multicomponent quantum chemistry:1250Integrating electronic and nuclear quantum effects via the nuclear-electronic orbital1251method,· Chem. Rev. 120, 4222-4253 (2020).

Institution fields

Peer reviewed: yes
First author: Pavo·evi·
Co-authors: F. Pavo·evi·; T. Culpitt; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multicomponent quantum chemistry: Integrating electronic and nuclear quantum effects via the nuclear-electronic orbital method	Multicomponent quantum chemistry: Integrating electronic and nuclear quantum effects via the nuclear–electronic orbital method
year cv	2020	2020
venue crossref	Chem. Rev.	Chemical reviews	Chemical Reviews
kind cv	article	other
DOI crossref	10.1021/acs.chemrev.9b00798
first author cv	Pavo·evi·	Pavosevic

Citations

OpenAlex: none
Scholar: 216
DOI: 10.1021/acs.chemrev.9b00798

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Nonequilibrium dynamics of proton-coupled electron transfer in proton wires: Concerted but asynchronous mechanisms ACS Central Science article journal CV OA GS

CV span

lines 1292–1294 · CV · published

1292286. J. J. Goings and S. Hammes-Schiffer, ·Nonequilibrium dynamics of proton-coupled electron1293transfer in proton wires: Concerted but asynchronous mechanisms,· ACS Cent. Sci. 6, 1594-16011294(2020).

Institution fields

Peer reviewed: yes
First author: Goings
Co-authors: J. J. Goings; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nonequilibrium dynamics of proton-coupled electron transfer in proton wires: Concerted but asynchronous mechanisms
year cv	2020
venue crossref	ACS Cent. Sci.	ACS Central Science
kind cv	article
DOI crossref	10.1021/acscentsci.0c00756
first author cv	Goings

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acscentsci.0c00756

Match decisions

No decision recorded; a single record.

2020 Nuclear-electronic orbital Ehrenfest dynamics The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1307–1308 · CV · published

1307291. L. Zhao, A. Wildman, Z. Tao, P. Schneider, S. Hammes-Schiffer, and X. Li,1308·Nuclear-electronic orbital Ehrenfest dynamics,· J. Chem. Phys. 153, 224111 (2020).

Institution fields

Peer reviewed: yes
First author: Zhao
Co-authors: L. Zhao; A. Wildman; Z. Tao; P. Schneider; S. Hammes-Schiffer; X. Li
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nuclear-electronic orbital Ehrenfest dynamics	Nuclear–electronic orbital Ehrenfest dynamics
year cv	2020	2020
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/5.0031019
first author cv	Zhao	Zhao

Citations

OpenAlex: none
Scholar: 70
DOI: 10.1063/5.0031019

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the title Nuclear-electronic orbital Ehrenfest dynamics and year 2020.

2020 Nuclear-electronic orbital multistate density functional theory The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1298–1299 · CV · published

1298288. Q. Yu and S. Hammes-Schiffer, ·Nuclear-electronic orbital multistate density functional1299theory,· J. Phys. Chem. Lett. 11, 10106-10113 (2020).

Institution fields

Peer reviewed: yes
First author: Yu
Co-authors: Q. Yu; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital multistate density functional theory
year cv	2020
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.0c02923
first author cv	Yu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.0c02923

Match decisions

No decision recorded; a single record.

2020 Proton coupled electron transfer across benzimidazole bridges in bioinspired proton wires Chemical Science article journal CV OA GS

CV span

lines 1252–1255 · CV · published

1252274. E. Odella, S. J. Mora, B. L. Wadsworth, J. J. Goings, M. A. Gervaldo, L. E. Sereno, T.1253L. Groy, D. Gust, T. A. Moore, G. F. Moore, S. Hammes-Schiffer, and A. L. Moore, ·Proton1254coupled electron transfer across benzimidazole bridges in bioinspired proton wires,· Chem.1255Sci. 11, 3820 (2020).

Institution fields

Peer reviewed: yes
First author: Odella
Co-authors: E. Odella; S. J. Mora; B. L. Wadsworth; J. J. Goings; M. A. Gervaldo; L. E. Sereno; T. L. Groy; D. Gust; T. A. Moore; G. F. Moore; S. Hammes-Schiffer; A. L. Moore
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton coupled electron transfer across benzimidazole bridges in bioinspired proton wires	Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires
year cv	2020	2020
venue crossref	Chem. Sci.	Chemical science	Chemical Science
kind cv	article	other
DOI crossref	10.1039/c9sc06010c
first author cv	Odella	Odella

Citations

OpenAlex: none
Scholar: 46
DOI: 10.1039/c9sc06010c

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Proton-coupled electron transfer from tyrosine in the interior of a de novo protein: Mechanisms and primary proton acceptor Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1265–1268 · CV · published

1265278. A. Nilsen-Moe, C. R. Reinhardt, S. D. Glover, L. Liang, S. Hammes-Schiffer, L.1266Hammarström, and C. Tommos, ·Proton-coupled electron transfer from tyrosine in the interior1267of a de novo protein: Mechanisms and primary proton acceptor,· J. Am. Chem. Soc. 142,126811550-11559 (2020).

Institution fields

Peer reviewed: yes
First author: Nilsen-Moe
Co-authors: A. Nilsen-Moe; C. R. Reinhardt; S. D. Glover; L. Liang; S. Hammes-Schiffer; L. Hammarström; C. Tommos
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer from tyrosine in the interior of a de novo protein: Mechanisms and primary proton acceptor	Proton-coupled electron transfer from tyrosine in the interior of a de novo protein: mechanisms and primary proton acceptor
year cv	2020	2020
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.0c04655
first author cv	Nilsen-Moe	Nilsen-Moe

Citations

OpenAlex: none
Scholar: 53
DOI: 10.1021/jacs.0c04655

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Quantum effects in complex systems: Summarizing remarks Faraday Discussions article journal CV OA GS

CV span

lines 1235–1236 · CV · published

1235268. S. Hammes-Schiffer, ·Quantum effects in complex systems: Summarizing remarks,· Faraday1236Discuss. 221, 582-588 (2020).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Quantum effects in complex systems: Summarizing remarks
year cv	2020
venue crossref	Faraday Discuss.	Faraday Discussions
kind cv	article
DOI crossref	10.1039/c9fd00097f
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1039/c9fd00097f

Match decisions

No decision recorded; a single record.

2020 Real-time time-dependent nuclear-electronic orbital approach: Dynamics beyond the Born-Oppenheimer approximation The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1256–1258 · CV · published

1256275. L. Zhao, Z. Tao, F. Pavo·evi·, A. Wildman, S. Hammes-Schiffer, and X. Li, ·Real-time1257time-dependent nuclear-electronic orbital approach: Dynamics beyond the Born-Oppenheimer1258approximation,· J. Phys. Chem. Lett. 11, 4052-4058 (2020).

Institution fields

Peer reviewed: yes
First author: Zhao
Co-authors: L. Zhao; Z. Tao; F. Pavo·evi·; A. Wildman; S. Hammes-Schiffer; X. Li
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Real-time time-dependent nuclear-electronic orbital approach: Dynamics beyond the Born-Oppenheimer approximation	Real-time time-dependent nuclear− electronic orbital approach: dynamics beyond the Born–Oppenheimer approximation
year cv	2020	2020
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI crossref	10.1021/acs.jpclett.0c00701
first author cv	Zhao	Zhao

Citations

OpenAlex: none
Scholar: 94
DOI: 10.1021/acs.jpclett.0c00701

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the title Nuclear-electronic orbital Ehrenfest dynamics and year 2020.

2020 Role of intact hydrogen-bond networks in multiproton-coupled electron transfer Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1315–1318 · CV · published

1315294. W. D. Guerra, E. Odella, M. Secor, J. J. Goings, M. N. Urrutia, B. L. Wadsworth, M.1316Gervaldo, L. E. Sereno, T. A. Moore, G. F. Moore, S. Hammes-Schiffer, and A. L. Moore, ·Role1317of intact hydrogen-bond networks in multiproton-coupled electron transfer,· J. Am. Chem. Soc.1318142, 21842-21851 (2020).

Institution fields

Peer reviewed: yes
First author: Guerra
Co-authors: W. D. Guerra; E. Odella; M. Secor; J. J. Goings; M. N. Urrutia; B. L. Wadsworth; M. Gervaldo; L. E. Sereno; T. A. Moore; G. F. Moore; S. Hammes-Schiffer; A. L. Moore
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Role of intact hydrogen-bond networks in multiproton-coupled electron transfer	Role of intact hydrogen-bond networks in multiproton-coupled electron transfer
year cv	2020	2020
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.0c10474
first author cv	Guerra	Guerra

Citations

OpenAlex: none
Scholar: 46
DOI: 10.1021/jacs.0c10474

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Substituent effects on photochemistry of anthracene·phenol·pyridine triads revealed by multireference calculations Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1237–1239 · CV · published

1237269. E. Sayfutyarova and S. Hammes-Schiffer, ·Substituent effects on photochemistry of1238anthracene·phenol·pyridine triads revealed by multireference calculations,· J. Am. Chem. Soc.1239142, 487-494 (2020).

Institution fields

Peer reviewed: yes
First author: Sayfutyarova
Co-authors: E. Sayfutyarova; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Substituent effects on photochemistry of anthracene·phenol·pyridine triads revealed by multireference calculations
year cv	2020
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.9b11425
first author cv	Sayfutyarova

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.9b11425

Match decisions

No decision recorded; a single record.

2020 Theoretical study of shallow distance dependence of proton-coupled electron transfer in oligoproline peptides Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1274–1276 · CV · published

1274281. P. Li, A. V. Soudackov, B. Koronkiewicz, J. M. Mayer, and S. Hammes-Schiffer,1275·Theoretical study of shallow distance dependence of proton-coupled electron transfer in1276oligoproline peptides,· J. Am. Chem. Soc. 142, 13795-13804 (2020).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: P. Li; A. V. Soudackov; B. Koronkiewicz; J. M. Mayer; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Theoretical study of shallow distance dependence of proton-coupled electron transfer in oligoproline peptides
year cv	2020
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.0c04716
first author cv	Li

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.0c04716

Match decisions

No decision recorded; a single record.

2020 Theory of electrochemical proton-coupled electron transfer in diabatic vibronic representation: Application to proton discharge on metal electrodes in alkaline solution The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 1303–1306 · CV · published

1303290. Y.-C. Lam, A. V. Soudackov, and S. Hammes-Schiffer, ·Theory of electrochemical1304proton-coupled electron transfer in diabatic vibronic representation: Application to proton1305discharge on metal electrodes in alkaline solution,· J. Phys. Chem. C 124, 27309-273221306(2020).

Institution fields

Peer reviewed: yes
First author: Lam
Co-authors: Y.-C. Lam; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theory of electrochemical proton-coupled electron transfer in diabatic vibronic representation: Application to proton discharge on metal electrodes in alkaline solution	Theory of electrochemical proton-coupled electron transfer in diabatic vibronic representation: application to proton discharge on metal electrodes in alkaline solution
year cv	2020	2020
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C	The Journal of Physical Chemistry C
kind cv	article	other
DOI crossref	10.1021/acs.jpcc.0c08096
first author cv	Lam	Lam

Citations

OpenAlex: none
Scholar: 48
DOI: 10.1021/acs.jpcc.0c08096

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Unraveling two pathways for electrochemical alcohol and aldehyde oxidation on NiOOH Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1309–1311 · CV · published

1309292. M. T. Bender, Y. C. Lam, S. Hammes-Schiffer, and K.-S. Choi, ·Unraveling two pathways1310for electrochemical alcohol and aldehyde oxidation on NiOOH,· J. Am. Chem. Soc. 142,131121538-21547 (2020).

Institution fields

Peer reviewed: yes
First author: Bender
Co-authors: M. T. Bender; Y. C. Lam; S. Hammes-Schiffer; K.-S. Choi
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Unraveling two pathways for electrochemical alcohol and aldehyde oxidation on NiOOH	Unraveling two pathways for electrochemical alcohol and aldehyde oxidation on NiOOH
year cv	2020	2020
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.0c10924
first author cv	Bender	Bender

Citations

OpenAlex: none
Scholar: 414
DOI: 10.1021/jacs.0c10924

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Brønsted acid scaling relationships enable control over product selectivity from O2 reduction with a mononuclear cobalt porphyrin catalyst ACS Central Science article journal CV OA GS

CV span

lines 1203–1205 · CV · published

1203257. Y.-H. Wang, P. E. Schneider, Z. K. Goldsmith, B. Mondal, S. Hammes-Schiffer, and S. S.1204Stahl, ·Brønsted acid scaling relationships enable control over product selectivity from O21205reduction with a mononuclear cobalt porphyrin catalyst,· ACS Cent. Sci. 5, 1024-1034 (2019).

Institution fields

Peer reviewed: yes
First author: Wang
Co-authors: Y.-H. Wang; P. E. Schneider; Z. K. Goldsmith; B. Mondal; S. Hammes-Schiffer; S. S. Stahl
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Brønsted acid scaling relationships enable control over product selectivity from O2 reduction with a mononuclear cobalt porphyrin catalyst	Brønsted acid scaling relationships enable control over product selectivity from O2 reduction with a mononuclear cobalt porphyrin catalyst
year cv	2019	2019
venue crossref	ACS Cent. Sci.	ACS Central Science	ACS Central Science
kind cv	article	other
DOI crossref	10.1021/acscentsci.9b00194
first author cv	Wang	Wang

Citations

OpenAlex: none
Scholar: 86
DOI: 10.1021/acscentsci.9b00194

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Concerted proton-electron transfer reactions in the Marcus inverted region Science article journal CV OA GS

CV span

lines 1185–1187 · CV · published

1185251. G. A. Parada, Z. K. Goldsmith, S. Kolmar, B. P. Rimgard, B. Q. Mercado, L. Hammarström,1186S. Hammes-Schiffer, and J. M. Mayer, ·Concerted proton-electron transfer reactions in the1187Marcus inverted region,· Science 364, 471-475 (2019).

Institution fields

Peer reviewed: yes
First author: Parada
Co-authors: G. A. Parada; Z. K. Goldsmith; S. Kolmar; B. P. Rimgard; B. Q. Mercado; L. Hammarström; S. Hammes-Schiffer; J. M. Mayer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Concerted proton-electron transfer reactions in the Marcus inverted region	Concerted proton-electron transfer reactions in the Marcus inverted region
year cv	2019	2019
venue crossref	Science	Science
kind cv	article	other
DOI crossref	10.1126/science.aaw4675
first author cv	Parada	Parada

Citations

OpenAlex: none
Scholar: 220
DOI: 10.1126/science.aaw4675

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Constructing molecular ·-orbital active spaces for multireference calculations of conjugated systems Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1179–1181 · CV · published

1179249. E. R. Sayfutyarova and S. Hammes-Schiffer, ·Constructing molecular ·-orbital active1180spaces for multireference calculations of conjugated systems,· J. Chem. Theory Comput. 15,11811679-1689 (2019).

Institution fields

Peer reviewed: yes
First author: Sayfutyarova
Co-authors: E. R. Sayfutyarova; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Constructing molecular ·-orbital active spaces for multireference calculations of conjugated systems	Constructing molecular π-orbital active spaces for multireference calculations of conjugated systems
year cv	2019	2019
venue crossref	J. Chem. Theory Comput.	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI crossref	10.1021/acs.jctc.8b01196
first author cv	Sayfutyarova	Sayfutyarova

Citations

OpenAlex: none
Scholar: 73
DOI: 10.1021/acs.jctc.8b01196

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Diagonal Born-Oppenheimer corrections within the nuclear-electronic orbital framework The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1206–1208 · CV · published

1206258. P. E. Schneider, F. Pavo·evi·, and S. Hammes-Schiffer, ·Diagonal Born-Oppenheimer1207corrections within the nuclear-electronic orbital framework,· J. Phys. Chem. Lett. 10,12084639-4643 (2019).

Institution fields

Peer reviewed: yes
First author: Schneider
Co-authors: P. E. Schneider; F. Pavo·evi·; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Diagonal Born-Oppenheimer corrections within the nuclear-electronic orbital framework
year cv	2019
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.9b01803
first author cv	Schneider

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.9b01803

Match decisions

No decision recorded; a single record.

2019 Early photocycle of Slr1694 blue-light using flavin photoreceptor unraveled through adiabatic excited state quantum mechanical/molecular mechanical dynamics Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1232–1234 · CV · published

1232267. J. J. Goings and S. Hammes-Schiffer, ·Early photocycle of Slr1694 blue-light using1233flavin photoreceptor unraveled through adiabatic excited state quantum mechanical/molecular1234mechanical dynamics,· J. Am. Chem. Soc. 141, 20470-20479 (2019).

Institution fields

Peer reviewed: yes
First author: Goings
Co-authors: J. J. Goings; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Early photocycle of Slr1694 blue-light using flavin photoreceptor unraveled through adiabatic excited state quantum mechanical/molecular mechanical dynamics	Early photocycle of Slr1694 blue-light using flavin photoreceptor unraveled through adiabatic excited-state quantum mechanical/molecular mechanical dynamics
year cv	2019	2019
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.9b11196
first author cv	Goings	Goings

Citations

OpenAlex: none
Scholar: 52
DOI: 10.1021/jacs.9b11196

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Electron-coupled double proton transfer in the Slr1694 BLUF photoreceptor: A multireference electronic structure study The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1173–1175 · CV · published

1173247. E. R. Sayfutyarova, J. J. Goings, and S. Hammes-Schiffer, ·Electron-coupled double1174proton transfer in the Slr1694 BLUF photoreceptor: A multireference electronic structure1175study,· J. Phys. Chem. B 123, 439-447 (2019).

Institution fields

Peer reviewed: yes
First author: Sayfutyarova
Co-authors: E. R. Sayfutyarova; J. J. Goings; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Electron-coupled double proton transfer in the Slr1694 BLUF photoreceptor: A multireference electronic structure study
year cv	2019
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/acs.jpcb.8b10973
first author cv	Sayfutyarova

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpcb.8b10973

Match decisions

No decision recorded; a single record.

2019 Enhancing the applicability of multicomponent time-dependent density functional theory The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1197–1199 · CV · published

1197255. T. Culpitt, Y. Yang, F. Pavo·evi·, Z. Tao, and S. Hammes-Schiffer, ·Enhancing the1198applicability of multicomponent time-dependent density functional theory,· J. Chem. Phys.1199150, 201101 (2019).

Institution fields

Peer reviewed: yes
First author: Culpitt
Co-authors: T. Culpitt; Y. Yang; F. Pavo·evi·; Z. Tao; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Enhancing the applicability of multicomponent time-dependent density functional theory
year cv	2019
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.5099093
first author cv	Culpitt

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.5099093

Match decisions

No decision recorded; a single record.

2019 Introduction: Computational design of catalysts from molecules to materials Chemical Reviews article journal CV OA GS

CV span

lines 1227–1228 · CV · published

1227265. D. Ess, L. Gagliardi, and S. Hammes-Schiffer, ·Introduction: Computational design of1228catalysts from molecules to materials,· Chem. Rev. 119, 6507-6508 (2019).

Institution fields

Peer reviewed: yes
First author: Ess
Co-authors: D. Ess; L. Gagliardi; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Introduction: Computational design of catalysts from molecules to materials
year cv	2019
venue crossref	Chem. Rev.	Chemical Reviews
kind cv	article
DOI crossref	10.1021/acs.chemrev.9b00296
first author cv	Ess

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.chemrev.9b00296

Match decisions

No decision recorded; a single record.

2019 Kinetics of proton discharge on metal electrodes: Effects of vibrational nonadiabaticity and solvent dynamics The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1212–1214 · CV · published

1212260. Y. C. Lam, A. V. Soudackov, and S. Hammes-Schiffer, ·Kinetics of proton discharge on1213metal electrodes: Effects of vibrational nonadiabaticity and solvent dynamics,· J. Phys.1214Chem. Lett. 10, 5312-5217 (2019).

Institution fields

Peer reviewed: yes
First author: Lam
Co-authors: Y. C. Lam; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Kinetics of proton discharge on metal electrodes: Effects of vibrational nonadiabaticity and solvent dynamics
year cv	2019
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.9b01984
first author cv	Lam

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.9b01984

Match decisions

No decision recorded; a single record.

2019 Modeling Electron Transfer in Diffusive Multidimensional Electrochemical Systems The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 1200–1202 · CV · published

1200256. A. J. Coffman, A. K. Harshan, S. Hammes-Schiffer, and J. E. Subotnik, ·Modeling electron1201transfer in diffusive multidimensional electrochemical systems,· J. Phys. Chem. C 123,120213304-13317 (2019).

Institution fields

Peer reviewed: yes
First author: Coffman
Co-authors: A. J. Coffman; A. K. Harshan; S. Hammes-Schiffer; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Modeling electron transfer in diffusive multidimensional electrochemical systemsModeling Electron Transfer in Diffusive Multidimensional Electrochemical Systems
year cv	20192019
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C
kind cv	articlearticle
DOI cv	10.1021/acs.jpcc.9b0206810.1021/acs.jpcc.9b02068
first author cv	CoffmanCoffman

Citations

OpenAlex: none
Scholar: 6
DOI: 10.1021/acs.jpcc.9b02068

Match decisions

No decision recorded; a single record.

2019 Molecular vibrational frequencies within the nuclear-electronic orbital framework The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1182–1184 · CV · published

1182250. Y. Yang, P. E. Schneider, T. Culpitt, F. Pavo·evi·, and S. Hammes-Schiffer, ·Molecular1183vibrational frequencies within the nuclear-electronic orbital framework,· J. Phys. Chem.1184Lett. 10, 1167-1172 (2019).

Institution fields

Peer reviewed: yes
First author: Yang
Co-authors: Y. Yang; P. E. Schneider; T. Culpitt; F. Pavo·evi·; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Molecular vibrational frequencies within the nuclear-electronic orbital framework
year cv	2019
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.9b00299
first author cv	Yang

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.9b00299

Match decisions

No decision recorded; a single record.

2019 Molecular vibrational frequencies with multiple quantum protons within the nuclear-electronic orbital framework Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1229–1231 · CV · published

1229266. T. Culpitt, Y. Yang, P. E. Schneider, F. Pavo·evi·, and S. Hammes-Schiffer, ·Molecular1230vibrational frequencies with multiple quantum protons within the nuclear-electronic orbital1231framework,· J. Chem. Theory Comput. 15, 6840-6849 (2019).

Institution fields

Peer reviewed: yes
First author: Culpitt
Co-authors: T. Culpitt; Y. Yang; P. E. Schneider; F. Pavo·evi·; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Molecular vibrational frequencies with multiple quantum protons within the nuclear-electronic orbital framework
year cv	2019
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/acs.jctc.9b00665
first author cv	Culpitt

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jctc.9b00665

Match decisions

No decision recorded; a single record.

2019 Multicomponent coupled cluster singles and doubles and Brueckner doubles methods: Proton densities and energies The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1209–1211 · CV · published

1209259. F. Pavo·evi· and S. Hammes-Schiffer, ·Multicomponent coupled cluster singles and doubles1210and Brueckner doubles methods: Proton densities and energies,· J. Chem. Phys. 151, 0741041211(2019).

Institution fields

Peer reviewed: yes
First author: Pavo·evi·
Co-authors: F. Pavo·evi·; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Multicomponent coupled cluster singles and doubles and Brueckner doubles methods: Proton densities and energies
year cv	2019
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.5116113
first author cv	Pavo·evi·

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.5116113

Match decisions

No decision recorded; a single record.

2019 Multicomponent coupled cluster singles and doubles theory within the nuclear-electronic orbital framework Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1170–1172 · CV · published

1170246. F. Pavo·evi·, T. Culpitt, and S. Hammes-Schiffer, ·Multicomponent coupled cluster1171singles and doubles theory within the nuclear-electronic orbital framework,· J. Chem. Theory1172Comput. 15, 338-347 (2019).

Institution fields

Peer reviewed: yes
First author: Pavo·evi·
Co-authors: F. Pavo·evi·; T. Culpitt; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multicomponent coupled cluster singles and doubles theory within the nuclear-electronic orbital framework	Multicomponent coupled cluster singles and doubles theory within the nuclear-electronic orbital framework
year cv	2019	2019
venue crossref	J. Chem. Theory Comput.	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI crossref	10.1021/acs.jctc.8b01120
first author cv	Pavo·evi·	Pavošević

Citations

OpenAlex: none
Scholar: 108
DOI: 10.1021/acs.jctc.8b01120

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1224–1226 · CV · published

1224264. Z. Tao, Y. Yang, and S. Hammes-Schiffer, ·Multicomponent density functional theory:1225Including the density gradient in the electron-proton correlation functional for hydrogen and1226deuterium,· J. Chem. Phys. 151, 124102 (2019).

Institution fields

Peer reviewed: yes
First author: Tao
Co-authors: Z. Tao; Y. Yang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium	Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium
year cv	2019	2019
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.5119124
first author cv	Tao	Tao

Citations

OpenAlex: none
Scholar: 71
DOI: 10.1063/1.5119124

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Multicomponent equation-of-motion coupled cluster singles and doubles: Theory and calculation of excitation energies for positronium hydride The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1188–1190 · CV · published

1188252. F. Pavo·evi· and S. Hammes-Schiffer, ·Multicomponent equation-of-motion coupled cluster1189singles and doubles: Theory and calculation of excitation energies for positronium hydride,·1190J. Chem. Phys. 150, 161102 (2019).

Institution fields

Peer reviewed: yes
First author: Pavo·evi·
Co-authors: F. Pavo·evi·; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multicomponent equation-of-motion coupled cluster singles and doubles: Theory and calculation of excitation energies for positronium hydride	Multicomponent equation-of-motion coupled cluster singles and doubles: Theory and calculation of excitation energies for positronium hydride
year cv	2019	2019
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.5094035
first author cv	Pavo·evi·	Pavošević

Citations

OpenAlex: none
Scholar: 50
DOI: 10.1063/1.5094035

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Proton-coupled electron transfer drives long-range proton translocation in bioinspired systems Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1215–1218 · CV · published

1215261. E. Odella, B. L. Wadsworth, S. J. Mora, J. J. Goings, M. T. Huynh, D. Gust, T. A. Moore,1216G. F. Moore, S. Hammes-Schiffer, and A. L. Moore, ·Proton-coupled electron transfer drives1217long-range proton translocation in bioinspired systems,· J. Am. Chem. Soc. 141, 14057-140611218(2019).

Institution fields

Peer reviewed: yes
First author: Odella
Co-authors: E. Odella; B. L. Wadsworth; S. J. Mora; J. J. Goings; M. T. Huynh; D. Gust; T. A. Moore; G. F. Moore; S. Hammes-Schiffer; A. L. Moore
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer drives long-range proton translocation in bioinspired systems	Proton-coupled electron transfer drives long-range proton translocation in bioinspired systems
year cv	2019	2019
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.9b06978
first author cv	Odella	Odella

Citations

OpenAlex: none
Scholar: 58
DOI: 10.1021/jacs.9b06978

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Proton discharge on a gold electrode from triethylammonium in acetonitrile: Theoretical modeling of potential-dependent kinetic isotope effects Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1176–1178 · CV · published

1176248. Z. K. Goldsmith, Y. C. Lam, A V. Soudackov, and S. Hammes-Schiffer, ·Proton discharge on1177a gold electrode from triethylammonium in acetonitrile: Theoretical modeling of1178potential-dependent kinetic isotope effects,· J. Am. Chem. Soc. 141, 1084-1090 (2019).

Institution fields

Peer reviewed: yes
First author: Goldsmith
Co-authors: Z. K. Goldsmith; Y. C. Lam; A V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton discharge on a gold electrode from triethylammonium in acetonitrile: Theoretical modeling of potential-dependent kinetic isotope effects	Proton discharge on a gold electrode from triethylammonium in acetonitrile: Theoretical modeling of potential-dependent kinetic isotope effects
year cv	2019	2019
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.8b11826
first author cv	Goldsmith	Goldsmith

Citations

OpenAlex: none
Scholar: 64
DOI: 10.1021/jacs.8b11826

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Strategies for enhancing the rate constant of C·H bond cleavage by concerted proton-coupled electron transfer Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1221–1223 · CV · published

1221263. E. Sayfutyarova, Y. C. Lam, and S. Hammes-Schiffer, ·Strategies for enhancing the rate1222constant of C·H bond cleavage by concerted proton-coupled electron transfer,· J. Am. Chem.1223Soc. 141, 15183-15189 (2019).

Institution fields

Peer reviewed: yes
First author: Sayfutyarova
Co-authors: E. Sayfutyarova; Y. C. Lam; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Strategies for enhancing the rate constant of C·H bond cleavage by concerted proton-coupled electron transfer
year cv	2019
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.9b06849
first author cv	Sayfutyarova

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.9b06849

Match decisions

No decision recorded; a single record.

2019 Substrate-to-product conversion facilitates active site loop opening in yeast enolase: A molecular dynamics study ACS Catalysis article journal CV OA GS

CV span

lines 1219–1220 · CV · published

1219262. P. Li and S. Hammes-Schiffer, ·Substrate-to-product conversion facilitates active site1220loop opening in yeast enolase: A molecular dynamics study,· ACS Catal. 9, 8985-8990 (2019).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: P. Li; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Substrate-to-product conversion facilitates active site loop opening in yeast enolase: A molecular dynamics study
year cv	2019
venue crossref	ACS Catal.	ACS Catalysis
kind cv	article
DOI crossref	10.1021/acscatal.9b03249
first author cv	Li

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acscatal.9b03249

Match decisions

No decision recorded; a single record.

2019 Theoretical analysis of the inverted region in photoinduced proton-coupled electron transfer Faraday Discussions article journal CV OA GS

CV span

lines 1191–1193 · CV · published

1191253. Z. K. Goldsmith, A. V. Soudackov, and S. Hammes-Schiffer, ·Theoretical analysis of the1192inverted region in photoinduced proton-coupled electron transfer,· Faraday Discuss. 216,1193363-378 (2019).

Institution fields

Peer reviewed: yes
First author: Goldsmith
Co-authors: Z. K. Goldsmith; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Theoretical analysis of the inverted region in photoinduced proton-coupled electron transfer
year cv	2019
venue crossref	Faraday Discuss.	Faraday Discussions
kind cv	article
DOI crossref	10.1039/c8fd00240a
first author cv	Goldsmith

Citations

OpenAlex: none
Scholar: none
DOI: 10.1039/c8fd00240a

Match decisions

No decision recorded; a single record.

2019 Theory of proton discharge on metal electrodes: Electronically adiabatic model The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 1194–1196 · CV · published

1194254. Y.-C. Lam, A. V. Soudackov, Z. K. Goldsmith, and S. Hammes-Schiffer, ·Theory of proton1195discharge on metal electrodes: Electronically adiabatic model,· J. Phys. Chem. C 123,119612335-12345 (2019).

Institution fields

Peer reviewed: yes
First author: Lam
Co-authors: Y.-C. Lam; A. V. Soudackov; Z. K. Goldsmith; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theory of proton discharge on metal electrodes: Electronically adiabatic model	Theory of proton discharge on metal electrodes: electronically adiabatic model
year cv	2019	2019
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C	The Journal of Physical Chemistry C
kind cv	article	other
DOI crossref	10.1021/acs.jpcc.9b02148
first author cv	Lam	Lam

Citations

OpenAlex: none
Scholar: 48
DOI: 10.1021/acs.jpcc.9b02148

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Alternative forms and transferability of electron-proton correlation functionals in nuclear-electronic orbital density functional theory The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1145–1147 · CV · published

1145238. K. R. Brorsen, P. Schneider, and S. Hammes-Schiffer, ·Alternative forms and1146transferability of electron-proton correlation functionals in nuclear-electronic orbital1147density functional theory,· J. Chem. Phys. 149, 044110 (2018).

Institution fields

Peer reviewed: yes
First author: Brorsen
Co-authors: K. R. Brorsen; P. Schneider; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Alternative forms and transferability of electron-proton correlation functionals in nuclear-electronic orbital density functional theory	Alternative forms and transferability of electron-proton correlation functionals in nuclear-electronic orbital density functional theory
year cv	2018	2018
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.5037945
first author cv	Brorsen	Brorsen

Citations

OpenAlex: none
Scholar: 60
DOI: 10.1063/1.5037945

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Controlling electrons and protons through theory: Molecular electrocatalysts to nanoparticles Accounts of Chemical Research article journal CV OA GS

CV span

lines 1151–1152 · CV · published

1151240. S. Hammes-Schiffer, ·Controlling electrons and protons through theory: Molecular1152electrocatalysts to nanoparticles,· Acc. Chem. Res. 51, 1975-1983 (2018).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Controlling electrons and protons through theory: Molecular electrocatalysts to nanoparticles
year cv	2018
venue crossref	Acc. Chem. Res.	Accounts of Chemical Research
kind cv	article
DOI crossref	10.1021/acs.accounts.8b00240
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.accounts.8b00240

Match decisions

No decision recorded; a single record.

2018 Controlling proton-coupled electron transfer in bioinspired artificial photosynthetic relays Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1160–1163 · CV · published

1160243. E. Odella, S. J. Mora, B. L. Wadsworth, M. T. Huynh, J. J. Goings, P. A. Liddell, T. L.1161Groy, M. Gervaldo, L. E. Sereno, D. Gust, T. A. Moore, G. F. Moore, S. Hammes-Schiffer, and1162A. L. Moore, ·Controlling proton-coupled electron transfer in bioinspired artificial1163photosynthetic relays,· J. Am. Chem. Soc. 140, 15450-15460 (2018).

Institution fields

Peer reviewed: yes
First author: Odella
Co-authors: E. Odella; S. J. Mora; B. L. Wadsworth; M. T. Huynh; J. J. Goings; P. A. Liddell; T. L. Groy; M. Gervaldo; L. E. Sereno; D. Gust; T. A. Moore; G. F. Moore; S. Hammes-Schiffer; A. L. Moore
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Controlling proton-coupled electron transfer in bioinspired artificial photosynthetic relays	Controlling proton-coupled electron transfer in bioinspired artificial photosynthetic relays
year cv	2018	2018
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.8b09724
first author cv	Odella	Odella

Citations

OpenAlex: none
Scholar: 78
DOI: 10.1021/jacs.8b09724

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Exploring the role of the third active site metal ion in DNA polymerase · with QM/MM free energy simulations Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1142–1144 · CV · published

1142237. D. R. Stevens and S. Hammes-Schiffer, ·Exploring the role of the third active site metal1143ion in DNA polymerase · with QM/MM free energy simulations,· J. Am. Chem. Soc. 140, 8965-89691144(2018).

Institution fields

Peer reviewed: yes
First author: Stevens
Co-authors: D. R. Stevens; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Exploring the role of the third active site metal ion in DNA polymerase · with QM/MM free energy simulations	Exploring the role of the third active site metal ion in DNA polymerase η with QM/MM free energy simulations
year cv	2018	2018
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.8b05177
first author cv	Stevens	Stevens

Citations

OpenAlex: none
Scholar: 60
DOI: 10.1021/jacs.8b05177

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Fundamental insights into proton-coupled electron transfer in soybean lipoxygenase from quantum mechanical/molecular mechanical free energy simulations Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1136–1138 · CV · published

1136235. P. Li, A. V. Soudackov, and S. Hammes-Schiffer, ·Fundamental insights into1137proton-coupled electron transfer in soybean lipoxygenase from quantum mechanical/molecular1138mechanical free energy simulations,· J. Am. Chem. Soc. 140, 3068-3076 (2018).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: P. Li; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Fundamental insights into proton-coupled electron transfer in soybean lipoxygenase from quantum mechanical/molecular mechanical free energy simulations	Fundamental insights into proton-coupled electron transfer in soybean lipoxygenase from quantum mechanical/molecular mechanical free energy simulations
year cv	2018	2018
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.7b13642
first author cv	Li	Li

Citations

OpenAlex: none
Scholar: 72
DOI: 10.1021/jacs.7b13642

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Impact of mutations on the binding pocket of soybean lipoxygenase: Implications for proton-coupled electron transfer The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1164–1166 · CV · published

1164244. P. Li, A. V. Soudackov, and S. Hammes-Schiffer, ·Impact of mutations on the binding1165pocket of soybean lipoxygenase: Implications for proton-coupled electron transfer,· J. Phys.1166Chem. Lett. 9, 6444-6449 (2018).

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: P. Li; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Impact of mutations on the binding pocket of soybean lipoxygenase: Implications for proton-coupled electron transfer
year cv	2018
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.8b02945
first author cv	Li

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.8b02945

Match decisions

No decision recorded; a single record.

2018 Kinetic and mechanistic characterization of low-overpotential, H2O2-selective reduction of O2 catalyzed by N2O2-ligated cobalt complexes Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1153–1156 · CV · published

1153241. Y.-H. Wang, Z. K. Goldsmith, P. E. Schneider, C. W. Anson, J. B. Gerken, S. Ghosh, S.1154Hammes-Schiffer, and S. S. Stahl, ·Kinetic and mechanistic characterization of1155low-overpotential, H2O2-selective reduction of O2 catalyzed by N2O2-ligated cobalt1156complexes,· J. Am. Chem. Soc. 140, 10890-10899 (2018).

Institution fields

Peer reviewed: yes
First author: Wang
Co-authors: Y.-H. Wang; Z. K. Goldsmith; P. E. Schneider; C. W. Anson; J. B. Gerken; S. Ghosh; S. Hammes-Schiffer; S. S. Stahl
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Kinetic and mechanistic characterization of low-overpotential, H2O2-selective reduction of O2 catalyzed by N2O2-ligated cobalt complexes	Kinetic and Mechanistic Characterization of Low-Overpotential, H2O2-Selective Reduction of O2 Catalyzed by N2O2-Ligated Cobalt Complexes
year cv	2018	2018
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.8b06394
first author cv	Wang	Wang

Citations

OpenAlex: none
Scholar: 74
DOI: 10.1021/jacs.8b06394

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Multicomponent time-dependent density functional theory: Proton and electron excitation energies The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1139–1141 · CV · published

1139236. Y. Yang, T. Culpitt, and S. Hammes-Schiffer, ·Multicomponent time-dependent density1140functional theory: Proton and electron excitation energies,· J. Phys. Chem. Lett. 9,11411765-1770 (2018).

Institution fields

Peer reviewed: yes
First author: Yang
Co-authors: Y. Yang; T. Culpitt; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multicomponent time-dependent density functional theory: Proton and electron excitation energies	Multicomponent time-dependent density functional theory: Proton and electron excitation energies
year cv	2018	2018
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI crossref	10.1021/acs.jpclett.8b00547
first author cv	Yang	Yang

Citations

OpenAlex: none
Scholar: 80
DOI: 10.1021/acs.jpclett.8b00547

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Propensity for proton relay and electrostatic impact of protein reorganization in Slr1694 BLUF photoreceptor Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1157–1159 · CV · published

1157242. J. J. Goings, C. R. Reinhardt, and S. Hammes-Schiffer, ·Propensity for proton relay and1158electrostatic impact of protein reorganization in Slr1694 BLUF photoreceptor,· J. Am. Chem.1159Soc. 140, 15241-15251 (2018).

Institution fields

Peer reviewed: yes
First author: Goings
Co-authors: J. J. Goings; C. R. Reinhardt; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Propensity for proton relay and electrostatic impact of protein reorganization in Slr1694 BLUF photoreceptor
year cv	2018
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.8b07456
first author cv	Goings

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.8b07456

Match decisions

No decision recorded; a single record.

2018 Stability conditions and local minima in multicomponent Hartree-Fock and density functional theory The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1148–1150 · CV · published

1148239. Y. Yang, T. Culpitt, Z. Tao and S. Hammes-Schiffer, ·Stability conditions and local1149minima in multicomponent Hartree-Fock and density functional theory,· J. Chem. Phys. 149,1150084105 (2018).

Institution fields

Peer reviewed: yes
First author: Yang
Co-authors: Y. Yang; T. Culpitt; Z. Tao; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Stability conditions and local minima in multicomponent Hartree-Fock and density functional theory
year cv	2018
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.5040353
first author cv	Yang

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.5040353

Match decisions

No decision recorded; a single record.

2018 Theoretical study of C-H bond cleavage via concerted proton-coupled electron transfer in fluorenyl-benzoates Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1167–1169 · CV · published

1167245. E. R. Sayfutyarova, Z. K. Goldsmith, and S. Hammes-Schiffer, ·Theoretical study of C-H1168bond cleavage via concerted proton-coupled electron transfer in fluorenyl-benzoates,· J. Am.1169Chem. Soc. 140, 15641-15645 (2018).

Institution fields

Peer reviewed: yes
First author: Sayfutyarova
Co-authors: E. R. Sayfutyarova; Z. K. Goldsmith; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Theoretical study of C-H bond cleavage via concerted proton-coupled electron transfer in fluorenyl-benzoates
year cv	2018
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.8b10461
first author cv	Sayfutyarova

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.8b10461

Match decisions

No decision recorded; a single record.

2017 13C ENDOR spectroscopy of lipoxygenase-substrate complexes reveals the structural basis for C-H activation by tunneling Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1086–1089 · CV · published

1086219. M. Horitani, A. R. Offenbacher, C. A. M. Carr, T. Yu, V. Hoeke, G. E. Cutsail III, S.1087Hammes-Schiffer, J. P. Klinman, and B. M. Hoffman, ·13C ENDOR spectroscopy of1088lipoxygenase-substrate complexes reveals the structural basis for C-H activation by1089tunneling,· J. Am. Chem. Soc. 139, 1984-1997 (2017).

Institution fields

Peer reviewed: yes
First author: Horitani
Co-authors: M. Horitani; A. R. Offenbacher; C. A. M. Carr; T. Yu; V. Hoeke; G. E. Cutsail III; S. Hammes-Schiffer; J. P. Klinman; B. M. Hoffman
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	13C ENDOR spectroscopy of lipoxygenase-substrate complexes reveals the structural basis for C-H activation by tunneling	13C ENDOR spectroscopy of lipoxygenase–substrate complexes reveals the structural basis for C–H activation by tunneling
year cv	2017	2017
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.6b11856
first author cv	Horitani	Horitani

Citations

OpenAlex: none
Scholar: 83
DOI: 10.1021/jacs.6b11856

Match decisions

fingerprint merged · 1.00 · Run 18

2017 A conundrum for density functional theory Science article journal CV OA GS

CV span

lines 1081–1082 · CV · published

1081217. S. Hammes-Schiffer, ·A conundrum for density functional theory,· Science 355, 28-291082(2017).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	A conundrum for density functional theory	A conundrum for density functional theory
year cv	2017	2017
venue crossref	Science	Science
kind cv	article	other
DOI crossref	10.1126/science.aal3442
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 154
DOI: 10.1126/science.aal3442

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the 2017 J. Phys. Chem. Lett. article by Brorsen and Hammes-Schiffer.

2017 Calculation of positron binding energies and electron-positron annihilation rates for atomic systems with the reduced explicitly correlated Hartree-Fock method within the nuclear-electronic orbital framework The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1090–1093 · CV · published

1090220. K. R. Brorsen, M. V. Pak, and S. Hammes-Schiffer, ·Calculation of positron binding1091energies and electron-positron annihilation rates for atomic systems with the reduced1092explicitly correlated Hartree-Fock method within the nuclear-electronic orbital framework,·1093J. Phys. Chem. A 121, 515-522 (2017).

Institution fields

Peer reviewed: yes
First author: Brorsen
Co-authors: K. R. Brorsen; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Calculation of positron binding energies and electron-positron annihilation rates for atomic systems with the reduced explicitly correlated Hartree-Fock method within the nuclear-electronic orbital framework
year cv	2017
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A
kind cv	article
DOI crossref	10.1021/acs.jpca.6b10124
first author cv	Brorsen

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpca.6b10124

Match decisions

No decision recorded; a single record.

2017 Catalysts by design: The power of theory Accounts of Chemical Research article journal CV OA GS

CV span

lines 1102–1103 · CV · published

1102224. S. Hammes-Schiffer, ·Catalysts by design: The power of theory,· Acc. Chem. Res. 50,1103561-566 (2017).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Catalysts by design: The power of theory	Catalysts by design: The power of theory
year cv	2017	2017
venue crossref	Acc. Chem. Res.	Accounts of chemical research	Accounts of Chemical Research
kind cv	article	other
DOI crossref	10.1021/acs.accounts.6b00555
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 90
DOI: 10.1021/acs.accounts.6b00555

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 1104–1107 · CV · published

1104225. Z. K. Goldsmith, A. K. Harshan, J. B. Gerken, M. Voros, G. Galli, S. S. Stahl, and S.1105Hammes-Schiffer, ·Characterization of NiFe oxyhydroxide electrocatalysts by integrated1106electronic structure calculations and spectroelectrochemistry,· Proc. Nat. Acad. Sci. USA1107114, 3050-3055 (2017).

Institution fields

Peer reviewed: yes
First author: Goldsmith
Co-authors: Z. K. Goldsmith; A. K. Harshan; J. B. Gerken; M. Voros; G. Galli; S. S. Stahl; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry	Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry
year cv	2017	2017
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	other
DOI crossref	10.1073/pnas.1702081114
first author cv	Goldsmith	Goldsmith

Citations

OpenAlex: none
Scholar: 264
DOI: 10.1073/pnas.1702081114

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Concerted one-electron two-proton transfer processes in models inspired by the Tyr-His couple of photosystem II ACS Central Science article journal CV OA GS

CV span

lines 1117–1120 · CV · published

1117229. M. T. Huynh, S. J. Mora, M. Villalba, M. E. Tejeda-Ferrari, P. A. Liddell, B. R. Cherry,1118A.-L. Teillout, C. W. Machan, C. P. Kubiak, D. Gust, T. A. Moore, S. Hammes-Schiffer, and A.1119L. Moore, ·Concerted one-electron two-proton transfer processes in models inspired by the1120Tyr-His couple of photosystem II,· ACS Cent. Sci. 3, 372-380 (2017). (Featured on cover.)

Institution fields

Peer reviewed: yes
First author: Huynh
Co-authors: M. T. Huynh; S. J. Mora; M. Villalba; M. E. Tejeda-Ferrari; P. A. Liddell; B. R. Cherry; A.-L. Teillout; C. W. Machan; C. P. Kubiak; D. Gust; T. A. Moore; S. Hammes-Schiffer; A. L. Moore
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Concerted one-electron two-proton transfer processes in models inspired by the Tyr-His couple of photosystem II	Concerted one-electron two-proton transfer processes in models inspired by the Tyr-His couple of photosystem II
year cv	2017	2017
venue crossref	ACS Cent. Sci.	ACS Central Science	ACS Central Science
kind cv	article	other
DOI crossref	10.1021/acscentsci.7b00125
first author cv	Huynh	Huynh

Citations

OpenAlex: none
Scholar: 104
DOI: 10.1021/acscentsci.7b00125

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Density functional theory embedding with the orthogonality constrained basis set expansion procedure The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1114–1116 · CV · published

1114228. T. Culpitt, K. R. Brorsen, and S. Hammes-Schiffer, ·Density functional theory embedding1115with the orthogonality constrained basis set expansion procedure,· J. Chem. Phys. 146, 2111011116(2017).

Institution fields

Peer reviewed: yes
First author: Culpitt
Co-authors: T. Culpitt; K. R. Brorsen; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Density functional theory embedding with the orthogonality constrained basis set expansion procedure	Communication: Density functional theory embedding with the orthogonality constrained basis set expansion procedure
year cv	2017	2017
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.4984777
first author cv	Culpitt	Culpitt

Citations

OpenAlex: none
Scholar: 47
DOI: 10.1063/1.4984777

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1124–1126 · CV · published

1124231. Y. Yang, K. R. Brorsen, T. Culpitt, M. V. Pak, and S. Hammes-Schiffer, ·Development of a1125practical multicomponent density functional for electron-proton correlation to produce1126accurate proton densities,· J. Chem. Phys. 147, 114113 (2017).

Institution fields

Peer reviewed: yes
First author: Yang
Co-authors: Y. Yang; K. R. Brorsen; T. Culpitt; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities	Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities
year cv	2017	2017
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.4996038
first author cv	Yang	Yang

Citations

OpenAlex: none
Scholar: 164
DOI: 10.1063/1.4996038

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Effects of active site mutations on specificity of nucleobase binding in human DNA polymerase The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1100–1101 · CV · published

1100223. M. N. Ucisik and S. Hammes-Schiffer, ·Effects of active site mutations on specificity of1101nucleobase binding in human DNA polymerase ,· J. Phys. Chem. B 121, 3667-3675 (2017).

Institution fields

Peer reviewed: yes
First author: Ucisik
Co-authors: M. N. Ucisik; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Effects of active site mutations on specificity of nucleobase binding in human DNA polymerase
year cv	2017
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/acs.jpcb.6b09973
first author cv	Ucisik

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpcb.6b09973

Match decisions

No decision recorded; a single record.

2017 Enhanced rigidification within a double mutant of soybean lipoxygenase provides experimental support for vibronically nonadiabatic proton-coupled electron transfer models ACS Catalysis article journal CV OA GS

CV span

lines 1108–1110 · CV · published

1108226. S. Hu, A. V. Soudackov, S. Hammes-Schiffer, and J. P. Klinman, ·Enhanced rigidification1109within a double mutant of soybean lipoxygenase provides experimental support for vibronically1110nonadiabatic proton-coupled electron transfer models,· ACS Catal. 7, 3569-3574 (2017).

Institution fields

Peer reviewed: yes
First author: Hu
Co-authors: S. Hu; A. V. Soudackov; S. Hammes-Schiffer; J. P. Klinman
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Enhanced rigidification within a double mutant of soybean lipoxygenase provides experimental support for vibronically nonadiabatic proton-coupled electron transfer models	Enhanced rigidification within a double mutant of soybean lipoxygenase provides experimental support for vibronically nonadiabatic proton-coupled electron transfer models
year cv	2017	2017
venue crossref	ACS Catal.	ACS catalysis	ACS Catalysis
kind cv	article	other
DOI crossref	10.1021/acscatal.7b00688
first author cv	Hu	Hu

Citations

OpenAlex: none
Scholar: 65
DOI: 10.1021/acscatal.7b00688

Match decisions

fingerprint merged · 1.00 · Run 18

2017 GlcN6P cofactor serves multiple catalytic roles in the glmS ribozyme Nature Chemical Biology article journal CV OA GS

CV span

lines 1097–1099 · CV · published

1097222. J. L. Bingaman, S. Zhang, D. R. Stevens, N. H. Yennawar, S. Hammes-Schiffer, and P. C.1098Bevilacqua, ·GlcN6P cofactor serves multiple catalytic roles in the glmS ribozyme,· Nat.1099Chem. Biol. 13, 439-445 (2017).

Institution fields

Peer reviewed: yes
First author: Bingaman
Co-authors: J. L. Bingaman; S. Zhang; D. R. Stevens; N. H. Yennawar; S. Hammes-Schiffer; P. C. Bevilacqua
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	GlcN6P cofactor serves multiple catalytic roles in the glmS ribozyme	The GlcN6P cofactor plays multiple catalytic roles in the glmS ribozyme
year cv	2017	2017
venue crossref	Nat. Chem. Biol.	Nature chemical biology	Nature Chemical Biology
kind cv	article	other
DOI crossref	10.1038/nchembio.2300
first author cv	Bingaman	Bingaman

Citations

OpenAlex: none
Scholar: 54
DOI: 10.1038/nchembio.2300

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Interplay between terminal and bridging diiron hydrides in neutral and oxidized states Organometallics article journal CV OA GS

CV span

lines 1121–1123 · CV · published

1121230. X. Yu, C.-H. Tung, W. Wang, M. T. Huynh, D. L. Gray, S. Hammes-Schiffer, and T. B.1122Rauchfuss, ·Interplay between terminal and bridging diiron hydrides in neutral and oxidized1123states,· Organometallics 36, 2245-2253 (2017).

Institution fields

Peer reviewed: yes
First author: Yu
Co-authors: X. Yu; C.-H. Tung; W. Wang; M. T. Huynh; D. L. Gray; S. Hammes-Schiffer; T. B. Rauchfuss
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Interplay between terminal and bridging diiron hydrides in neutral and oxidized states
year cv	2017
venue crossref	Organometallics
kind cv	article
DOI crossref	10.1021/acs.organomet.7b00297
first author cv	Yu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.organomet.7b00297

Match decisions

No decision recorded; a single record.

2017 Is the accuracy of density functional theory for atomization energies and densities in bonding regions correlated? The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1111–1113 · CV · published

1111227. K. R. Brorsen, Y. Yang, M. V. Pak, and S. Hammes-Schiffer, ·Is the accuracy of density1112functional theory for atomization energies and densities in bonding regions correlated?· J.1113Phys. Chem. Lett. 8, 2076-2081 (2017).

Institution fields

Peer reviewed: yes
First author: Brorsen
Co-authors: K. R. Brorsen; Y. Yang; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Is the accuracy of density functional theory for atomization energies and densities in bonding regions correlated?	Is the accuracy of density functional theory for atomization energies and densities in bonding regions correlated?
year cv	2017	2017
venue crossref	J. Phys. Chem. Lett.	The journal of physical chemistry letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI crossref	10.1021/acs.jpclett.7b00774
first author cv	Brorsen	Brorsen

Citations

OpenAlex: none
Scholar: 109
DOI: 10.1021/acs.jpclett.7b00774

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the 2017 J. Phys. Chem. Lett. article by Brorsen and Hammes-Schiffer.

2017 Multicomponent density functional theory: Impact of nuclear quantum effects on proton affinities and geometries The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1127–1129 · CV · published

1127232. K. R. Brorsen, Y. Yang, and S. Hammes-Schiffer, ·Multicomponent density functional1128theory: Impact of nuclear quantum effects on proton affinities and geometries,· J. Phys.1129Chem. Lett. 8, 3488-3493 (2017).

Institution fields

Peer reviewed: yes
First author: Brorsen
Co-authors: K. R. Brorsen; Y. Yang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multicomponent density functional theory: Impact of nuclear quantum effects on proton affinities and geometries	Multicomponent density functional theory: Impact of nuclear quantum effects on proton affinities and geometries
year cv	2017	2017
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI crossref	10.1021/acs.jpclett.7b01442
first author cv	Brorsen	Brorsen

Citations

OpenAlex: none
Scholar: 167
DOI: 10.1021/acs.jpclett.7b01442

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Role of active site conformational changes in photocycle activation of the AppA BLUF photoreceptor Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 1094–1096 · CV · published

1094221. P. Goyal and S. Hammes-Schiffer, ·Role of active site conformational changes in1095photocycle activation of the AppA BLUF photoreceptor,· Proc. Nat. Acad. Sci. USA 114,10961480-1485 (2017).

Institution fields

Peer reviewed: yes
First author: Goyal
Co-authors: P. Goyal; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Role of active site conformational changes in photocycle activation of the AppA BLUF photoreceptor	Role of active site conformational changes in photocycle activation of the AppA BLUF photoreceptor
year cv	2017	2017
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	other
DOI crossref	10.1073/pnas.1621393114
first author cv	Goyal	Goyal

Citations

OpenAlex: none
Scholar: 60
DOI: 10.1073/pnas.1621393114

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Role of proton diffusion in the kinetics of proton-coupled electron transfer from photoreduced ZnO nanocrystals ACS Nano article journal CV OA GS

CV span

lines 1133–1135 · CV · published

1133234. S. Ghosh, A. V. Soudackov, and S. Hammes-Schiffer, ·Role of proton diffusion in the1134kinetics of proton-coupled electron transfer from photoreduced ZnO nanocrystals,· ACS Nano113511, 10295-10302 (2017).

Institution fields

Peer reviewed: yes
First author: Ghosh
Co-authors: S. Ghosh; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Role of proton diffusion in the kinetics of proton-coupled electron transfer from photoreduced ZnO nanocrystals
year cv	2017
venue crossref	ACS Nano
kind cv	article
DOI crossref	10.1021/acsnano.7b05009
first author cv	Ghosh

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acsnano.7b05009

Match decisions

No decision recorded; a single record.

2017 Theoretical insights into proton-coupled electron transfer from a photoreduced ZnO nanocrystal to an organic radical Nano Letters article journal CV OA GS

CV span

lines 1130–1132 · CV · published

1130233. S. Ghosh, J. Castillo-Lora, A. V. Soudackov, J. M. Mayer, and S. Hammes-Schiffer,1131·Theoretical insights into proton-coupled electron transfer from a photoreduced ZnO1132nanocrystal to an organic radical,· Nano Lett. 17, 5762-5767 (2017).

Institution fields

Peer reviewed: yes
First author: Ghosh
Co-authors: S. Ghosh; J. Castillo-Lora; A. V. Soudackov; J. M. Mayer; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Theoretical insights into proton-coupled electron transfer from a photoreduced ZnO nanocrystal to an organic radical
year cv	2017
venue crossref	Nano Lett.	Nano Letters
kind cv	article
DOI crossref	10.1021/acs.nanolett.7b02642
first author cv	Ghosh

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.nanolett.7b02642

Match decisions

No decision recorded; a single record.

2017 Tuning the ultrafast dynamics of photoinduced proton-coupled electron transfer in energy conversion processes ACS Energy Letters article journal CV OA GS

CV span

lines 1083–1085 · CV · published

1083218. P. Goyal and S. Hammes-Schiffer, ·Tuning the ultrafast dynamics of photoinduced1084proton-coupled electron transfer in energy conversion processes,· ACS Energy Lett. 2, 512-5191085(2017).

Institution fields

Peer reviewed: yes
First author: Goyal
Co-authors: P. Goyal; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Tuning the ultrafast dynamics of photoinduced proton-coupled electron transfer in energy conversion processes	Tuning the ultrafast dynamics of photoinduced proton-coupled electron transfer in energy conversion processes
year cv	2017	2017
venue crossref	ACS Energy Lett.	ACS Energy Letters	ACS Energy Letters
kind cv	article	other
DOI crossref	10.1021/acsenergylett.6b00723
first author cv	Goyal	Goyal

Citations

OpenAlex: none
Scholar: 52
DOI: 10.1021/acsenergylett.6b00723

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Assessing the potential effects of active site Mg2+ ions in the glmS ribozyme-cofactor complex The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1072–1074 · CV · published

1072214. S. Zhang, D. R. Stevens, P. Goyal, J. L. Bingaman, P. C. Bevilacqua, and S.1073Hammes-Schiffer, ·Assessing the potential effects of active site Mg2+ ions in the glmS1074ribozyme-cofactor complex,· J. Phys. Chem. Lett. 7, 3984-3988 (2016).

Institution fields

Peer reviewed: yes
First author: Zhang
Co-authors: S. Zhang; D. R. Stevens; P. Goyal; J. L. Bingaman; P. C. Bevilacqua; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Assessing the potential effects of active site Mg2+ ions in the glmS ribozyme-cofactor complex
year cv	2016
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.6b01854
first author cv	Zhang

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.6b01854

Match decisions

No decision recorded; a single record.

2016 Computational insights into five- versus six-coordinate iron center in ferrous soybean lipoxygenase The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1069–1071 · CV · published

1069213. T. Yu, A. V. Soudackov, and S. Hammes-Schiffer, ·Computational insights into five-1070versus six-coordinate iron center in ferrous soybean lipoxygenase,· J. Phys. Chem. Lett. 7,10713429-3433 (2016).

Institution fields

Peer reviewed: yes
First author: Yu
Co-authors: T. Yu; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Computational insights into five- versus six-coordinate iron center in ferrous soybean lipoxygenase
year cv	2016
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.6b01626
first author cv	Yu

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.6b01626

Match decisions

No decision recorded; a single record.

2016 Computational study of fluorinated diglyoxime-iron complexes: Tuning the electrocatalytic pathways for hydrogen evolution Inorganic Chemistry article journal CV OA GS

CV span

lines 1052–1054 · CV · published

1052207. A. K. Harshan, B. H. Solis, J. R. Winkler, H. B. Gray, and S. Hammes-Schiffer,1053·Computational study of fluorinated diglyoxime-iron complexes: Tuning the electrocatalytic1054pathways for hydrogen evolution,· Inorg. Chem. 55, 2934-2940 (2016).

Institution fields

Peer reviewed: yes
First author: Harshan
Co-authors: A. K. Harshan; B. H. Solis; J. R. Winkler; H. B. Gray; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Computational study of fluorinated diglyoxime-iron complexes: Tuning the electrocatalytic pathways for hydrogen evolution
year cv	2016
venue crossref	Inorg. Chem.	Inorganic Chemistry
kind cv	article
DOI crossref	10.1021/acs.inorgchem.5b02857
first author cv	Harshan

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.inorgchem.5b02857

Match decisions

No decision recorded; a single record.

2016 Co(salophen)-catalyzed aerobic oxidation of para-hydroquinone: Mechanism and implications for aerobic oxidation catalysis Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1049–1051 · CV · published

1049206. C. W. Anson, S. Ghosh, S. Hammes-Schiffer, and S. S. Stahl, ·Co(salophen)-catalyzed1050aerobic oxidation of para-hydroquinone: Mechanism and implications for aerobic oxidation1051catalysis,· J. Am. Chem. Soc. 138, 4186-4193 (2016).

Institution fields

Peer reviewed: yes
First author: Anson
Co-authors: C. W. Anson; S. Ghosh; S. Hammes-Schiffer; S. S. Stahl
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Co(salophen)-catalyzed aerobic oxidation of para-hydroquinone: Mechanism and implications for aerobic oxidation catalysis	Co(salophen)-Catalyzed Aerobic Oxidation of p-Hydroquinone: Mechanism and Implications for Aerobic Oxidation Catalysis
year cv	2016	2016
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.6b00254
first author cv	Anson	Anson

Citations

OpenAlex: none
Scholar: 156
DOI: 10.1021/jacs.6b00254

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Effect of protonation upon electronic coupling in the mixed valence and mixed protonated complex, [Ni(2,3-pyrazinedithiol)2] Inorganic Chemistry article journal CV OA GS

CV span

lines 1042–1044 · CV · published

1042204. S. R. Kennedy, P. Goyal, M. N. Kozar, H. P. Yennawar, S. Hammes-Schiffer, and B. J.1043Lear, ·Effect of protonation upon electronic coupling in the mixed valence and mixed1044protonated complex, [Ni(2,3-pyrazinedithiol)2],· Inorg. Chem. 55, 1433-1445 (2016).

Institution fields

Peer reviewed: yes
First author: Kennedy
Co-authors: S. R. Kennedy; P. Goyal; M. N. Kozar; H. P. Yennawar; S. Hammes-Schiffer; B. J. Lear
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Effect of protonation upon electronic coupling in the mixed valence and mixed protonated complex, [Ni(2,3-pyrazinedithiol)2]
year cv	2016
venue crossref	Inorg. Chem.	Inorganic Chemistry
kind cv	article
DOI crossref	10.1021/acs.inorgchem.5b02035
first author cv	Kennedy

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.inorgchem.5b02035

Match decisions

No decision recorded; a single record.

2016 Electrochemical electron transfer and proton-coupled electron transfer: Effects of double layer and ionic environment on solvent reorganization energies Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1055–1057 · CV · published

1055208. S. Ghosh, A. V. Soudackov, and S. Hammes-Schiffer, ·Electrochemical electron transfer1056and proton-coupled electron transfer: Effects of double layer and ionic environment on1057solvent reorganization energies,· J. Chem. Theory Comput. 12, 2917-2925 (2016).

Institution fields

Peer reviewed: yes
First author: Ghosh
Co-authors: S. Ghosh; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Electrochemical electron transfer and proton-coupled electron transfer: Effects of double layer and ionic environment on solvent reorganization energies	Electrochemical electron transfer and proton-coupled electron transfer: Effects of double layer and ionic environment on solvent reorganization energies
year cv	2016	2016
venue crossref	J. Chem. Theory Comput.	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI crossref	10.1021/acs.jctc.6b00233
first author cv	Ghosh	Ghosh

Citations

OpenAlex: none
Scholar: 49
DOI: 10.1021/acs.jctc.6b00233

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Experimental and computational mechanistic studies guiding the rational design of molecular electrocatalysts for production and oxidation of hydrogen Inorganic Chemistry article journal CV OA GS

CV span

lines 1038–1041 · CV · published

1038203. S. Raugei, M. L. Helm, S. Hammes-Schiffer, A. M. Appel, M. O·Hagan, E. S. Wiedner, and1039R. M. Bullock, ·Experimental and computational mechanistic studies guiding the rational1040design of molecular electrocatalysts for production and oxidation of hydrogen,· Inorg. Chem.104155, 445-460 (2016).

Institution fields

Peer reviewed: yes
First author: Raugei
Co-authors: S. Raugei; M. L. Helm; S. Hammes-Schiffer; A. M. Appel; M. O·Hagan; E. S. Wiedner; R. M. Bullock
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Experimental and computational mechanistic studies guiding the rational design of molecular electrocatalysts for production and oxidation of hydrogen	Experimental and computational mechanistic studies guiding the rational design of molecular electrocatalysts for production and oxidation of hydrogen
year cv	2016	2016
venue crossref	Inorg. Chem.	Inorganic Chemistry	Inorganic Chemistry
kind cv	article	other
DOI crossref	10.1021/acs.inorgchem.5b02262
first author cv	Raugei	Raugei

Citations

OpenAlex: none
Scholar: 86
DOI: 10.1021/acs.inorgchem.5b02262

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Hydrogenase enzymes and their synthetic models: The role of metal hydrides Chemical Reviews article journal CV OA GS

CV span

lines 1058–1060 · CV · published

1058209. D. Schilter, J. M. Camara, M. T. Huynh, S. Hammes-Schiffer, and T. B. Rauchfuss,1059·Hydrogenase enzymes and their synthetic models: The role of metal hydrides,· Chem. Rev. 116,10608693-8749 (2016).

Institution fields

Peer reviewed: yes
First author: Schilter
Co-authors: D. Schilter; J. M. Camara; M. T. Huynh; S. Hammes-Schiffer; T. B. Rauchfuss
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Hydrogenase enzymes and their synthetic models: The role of metal hydrides	Hydrogenase enzymes and their synthetic models: the role of metal hydrides
year cv	2016	2016
venue crossref	Chem. Rev.	Chemical reviews	Chemical Reviews
kind cv	article	other
DOI crossref	10.1021/acs.chemrev.6b00180
first author cv	Schilter	Schilter

Citations

OpenAlex: none
Scholar: 692
DOI: 10.1021/acs.chemrev.6b00180

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Mechanism of H2 production by models for the [NiFe]-hydrogenases: Role of reduced hydrides Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1064–1066 · CV · published

1064211. O. A. Ulloa, M. T. Huynh, C. P. Richers, J. A. Bertke, M. J. Nilges, S. Hammes-Schiffer,1065and T. B. Rauchfuss, ·Mechanism of H2 production by models for the [NiFe]-hydrogenases: Role1066of reduced hydrides,· J. Am. Chem. Soc. 138, 9234-9245 (2016).

Institution fields

Peer reviewed: yes
First author: Ulloa
Co-authors: O. A. Ulloa; M. T. Huynh; C. P. Richers; J. A. Bertke; M. J. Nilges; S. Hammes-Schiffer; T. B. Rauchfuss
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Mechanism of H2 production by models for the [NiFe]-hydrogenases: Role of reduced hydrides	Mechanism of H2 production by models for the [NiFe]-hydrogenases: role of reduced hydrides
year cv	2016	2016
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.6b04579
first author cv	Ulloa	Ulloa

Citations

OpenAlex: none
Scholar: 68
DOI: 10.1021/jacs.6b04579

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Models of the Ni-L and Ni-SIa states of the [NiFe]-hydrogenase active site Inorganic Chemistry article journal CV OA GS

CV span

lines 1032–1034 · CV · published

1032201. G. M. Chambers, M. T. Huynh, Y. Li, S. Hammes-Schiffer, T. B. Rauchfuss, E. Reijerse,1033and W. Lubitz, ·Models of the Ni-L and Ni-SIa states of the [NiFe]-hydrogenase active site,·1034Inorg. Chem. 55, 419-431 (2016).

Institution fields

Peer reviewed: yes
First author: Chambers
Co-authors: G. M. Chambers; M. T. Huynh; Y. Li; S. Hammes-Schiffer; T. B. Rauchfuss; E. Reijerse; W. Lubitz
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Models of the Ni-L and Ni-SIa states of the [NiFe]-hydrogenase active site	Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site
year cv	2016	2016
venue crossref	Inorg. Chem.	Inorganic chemistry	Inorganic Chemistry
kind cv	article	other
DOI crossref	10.1021/acs.inorgchem.5b01662
first author cv	Chambers	Chambers

Citations

OpenAlex: none
Scholar: 81
DOI: 10.1021/acs.inorgchem.5b01662

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Molecular dynamics study of twister ribozyme: Role of Mg2+ ions and the hydrogen-bonding network in the active site Biochemistry article journal CV OA GS

CV span

lines 1061–1063 · CV · published

1061210. M. N. Ucisik, P. C. Bevilacqua, and S. Hammes-Schiffer, ·Molecular dynamics study of1062twister ribozyme: Role of Mg2+ ions and the hydrogen-bonding network in the active site,·1063Biochemistry 55, 3834-3846 (2016).

Institution fields

Peer reviewed: yes
First author: Ucisik
Co-authors: M. N. Ucisik; P. C. Bevilacqua; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Molecular dynamics study of twister ribozyme: Role of Mg2+ ions and the hydrogen-bonding network in the active site
year cv	2016
venue crossref	Biochemistry
kind cv	article
DOI crossref	10.1021/acs.biochem.6b00203
first author cv	Ucisik

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.biochem.6b00203

Match decisions

No decision recorded; a single record.

2016 Multicomponent density functional theory embedding formulation The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1067–1068 · CV · published

1067212. T. Culpitt, K. R. Brorsen, M. V. Pak, and S. Hammes-Schiffer, ·Multicomponent density1068functional theory embedding formulation,· J. Chem. Phys. 145, 044106 (2016).

Institution fields

Peer reviewed: yes
First author: Culpitt
Co-authors: T. Culpitt; K. R. Brorsen; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Multicomponent density functional theory embedding formulation
year cv	2016
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.4958952
first author cv	Culpitt

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.4958952

Match decisions

No decision recorded; a single record.

2016 Nickel phlorin intermediate formed by proton-coupled electron transfer in hydrogen evolution mechanism Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 1035–1037 · CV · published

1035202. B. H. Solis, A. G. Maher, D. K. Dogutan, D. G. Nocera, and S. Hammes-Schiffer, ·Nickel1036phlorin intermediate formed by proton-coupled electron transfer in hydrogen evolution1037mechanism,· Proc. Nat. Acad. Sci. USA 113, 485-492 (2016).

Institution fields

Peer reviewed: yes
First author: Solis
Co-authors: B. H. Solis; A. G. Maher; D. K. Dogutan; D. G. Nocera; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nickel phlorin intermediate formed by proton-coupled electron transfer in hydrogen evolution mechanism	Nickel phlorin intermediate formed by proton-coupled electron transfer in hydrogen evolution mechanism
year cv	2016	2016
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	other
DOI crossref	10.1073/pnas.1521834112
first author cv	Solis	Solis

Citations

OpenAlex: none
Scholar: 200
DOI: 10.1073/pnas.1521834112

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Proton-coupled electron transfer reactions: Analytical rate constants and case study of kinetic isotope effects in lipoxygenase Faraday Discussions article journal CV OA GS

CV span

lines 1078–1080 · CV · published

1078216. A. V. Soudackov and S. Hammes-Schiffer, ·Proton-coupled electron transfer reactions:1079Analytical rate constants and case study of kinetic isotope effects in lipoxygenase,· Faraday1080Discuss. 195, 171-189 (2016).

Institution fields

Peer reviewed: yes
First author: Soudackov
Co-authors: A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer reactions: Analytical rate constants and case study of kinetic isotope effects in lipoxygenase	Proton-coupled electron transfer reactions: analytical rate constants and case study of kinetic isotope effects in lipoxygenase
year cv	2016	2016
venue crossref	Faraday Discuss.	Faraday discussions	Faraday Discussions
kind cv	article	other
DOI crossref	10.1039/c6fd00122j
first author cv	Soudackov	Soudackov

Citations

OpenAlex: none
Scholar: 50
DOI: 10.1039/c6fd00122j

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Proton quantization and vibrational relaxation in nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1045–1048 · CV · published

1045205. P. Goyal, C. A. Schwerdtfeger, A. V. Soudackov, and S. Hammes-Schiffer, ·Proton1046quantization and vibrational relaxation in nonadiabatic dynamics of photoinduced1047proton-coupled electron transfer in a solvated phenol-amine complex,· J. Phys. Chem. B 120,10482407-2417 (2016).

Institution fields

Peer reviewed: yes
First author: Goyal
Co-authors: P. Goyal; C. A. Schwerdtfeger; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton quantization and vibrational relaxation in nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex	Proton quantization and vibrational relaxation in nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex
year cv	2016	2016
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	other
DOI crossref	10.1021/acs.jpcb.5b12015
first author cv	Goyal	Goyal

Citations

OpenAlex: none
Scholar: 46
DOI: 10.1021/acs.jpcb.5b12015

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Quinone 1e- and 2 e-/2 H+ reduction potentials: Identification and analysis of deviations from systematic scaling relationships Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1075–1077 · CV · published

1075215. M. T. Huynh, C. W. Anson, A. C. Cavell, S. S. Stahl, and S. Hammes-Schiffer, ·Quinone10761e- and 2 e-/2 H+ reduction potentials: Identification and analysis of deviations from1077systematic scaling relationships,· J. Am. Chem. Soc. 138, 15903-15910 (2016).

Institution fields

Peer reviewed: yes
First author: Huynh
Co-authors: M. T. Huynh; C. W. Anson; A. C. Cavell; S. S. Stahl; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Quinone 1e- and 2 e-/2 H+ reduction potentials: Identification and analysis of deviations from systematic scaling relationships	Quinone 1 e–and 2 e–/2 H+ reduction potentials: identification and analysis of deviations from systematic scaling relationships
year cv	2016	2016
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.6b05797
first author cv	Huynh	Huynh

Citations

OpenAlex: none
Scholar: 396
DOI: 10.1021/jacs.6b05797

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Calculation of electrochemical reorganization energies for redox molecules at self-assembled monolayer modified electrodes The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 991–993 · CV · published

991187. S. Ghosh and S. Hammes-Schiffer, ·Calculation of electrochemical reorganization energies992for redox molecules at self-assembled monolayer modified electrodes,· J. Phys. Chem. Lett. 6,9931-5 (2015).

Institution fields

Peer reviewed: yes
First author: Ghosh
Co-authors: S. Ghosh; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Calculation of electrochemical reorganization energies for redox molecules at self-assembled monolayer modified electrodes
year cv	2015
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/jz5023784
first author cv	Ghosh

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jz5023784

Match decisions

No decision recorded; a single record.

2015 Comparative molecular dynamics studies of human DNA polymerase Journal of Chemical Information and Modeling article journal CV OA GS

CV span

lines 1027–1028 · CV · published

1027199. M. N. Ucisik and S. Hammes-Schiffer, ·Comparative molecular dynamics studies of human1028DNA polymerase ,· J. Chem. Inf. Model. 55, 2672-2681 (2015).

Institution fields

Peer reviewed: yes
First author: Ucisik
Co-authors: M. N. Ucisik; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Comparative molecular dynamics studies of human DNA polymerase
year cv	2015
venue crossref	J. Chem. Inf. Model.	Journal of Chemical Information and Modeling
kind cv	article
DOI crossref	10.1021/acs.jcim.5b00606
first author cv	Ucisik

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jcim.5b00606

Match decisions

No decision recorded; a single record.

2015 Dependence of vibronic coupling on molecular geometry and environment: Bridging hydrogen atom transfer and electron-proton transfer Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1021–1023 · CV · published

1021197. A. K. Harshan, T. Yu, A. V. Soudackov, and S. Hammes-Schiffer, ·Dependence of vibronic1022coupling on molecular geometry and environment: Bridging hydrogen atom transfer and1023electron-proton transfer,· J. Am. Chem. Soc. 137, 13545-13555 (2015).

Institution fields

Peer reviewed: yes
First author: Harshan
Co-authors: A. K. Harshan; T. Yu; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Dependence of vibronic coupling on molecular geometry and environment: Bridging hydrogen atom transfer and electron-proton transfer	Dependence of vibronic coupling on molecular geometry and environment: Bridging hydrogen atom transfer and electron–proton transfer
year cv	2015	2015
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.5b07327
first author cv	Harshan	Harshan

Citations

OpenAlex: none
Scholar: 55
DOI: 10.1021/jacs.5b07327

Match decisions

fingerprint merged · 1.00 · Run 18

2015 How large are nonadiabatic effects in atomic and diatomic systems? The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1018–1020 · CV · published

1018196. Y. Yang, I. Kylänpää, N. M. Tubman, J. T. Krogel, S. Hammes-Schiffer, and D. Ceperley.1019"How large are nonadiabatic effects in atomic and diatomic systems?" J. Chem. Phys. 143,1020124308 (2015).

Institution fields

Peer reviewed: yes
First author: Yang
Co-authors: Y. Yang; I. Kylänpää; N. M. Tubman; J. T. Krogel; S. Hammes-Schiffer; D. Ceperley
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	How large are nonadiabatic effects in atomic and diatomic systems?
year cv	2015
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.4931667
first author cv	Yang

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.4931667

Match decisions

No decision recorded; a single record.

2015 Inverse thio effects in the hepatitis delta virus ribozyme reveal that the reaction pathway is controlled by metal ion charge density Biochemistry article journal CV OA GS

CV span

lines 1004–1006 · CV · published

1004191. P. Thaplyal, A. Ganguly, S. Hammes-Schiffer, P. C. Bevilacqua, ·Inverse thio effects in1005the hepatitis delta virus ribozyme reveal that the reaction pathway is controlled by metal1006ion charge density,· Biochemistry 54, 2160-2175 (2015).

Institution fields

Peer reviewed: yes
First author: Thaplyal
Co-authors: P. Thaplyal; A. Ganguly; S. Hammes-Schiffer; P. C. Bevilacqua
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Inverse thio effects in the hepatitis delta virus ribozyme reveal that the reaction pathway is controlled by metal ion charge density	Inverse thio effects in the hepatitis delta virus ribozyme reveal that the reaction pathway is controlled by metal ion charge density
year cv	2015	2015
venue crossref	Biochemistry	Biochemistry
kind cv	article	other
DOI crossref	10.1021/acs.biochem.5b00190
first author cv	Thaplyal	Thaplyal

Citations

OpenAlex: none
Scholar: 65
DOI: 10.1021/acs.biochem.5b00190

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 998–1000 · CV · published

998189. P. Goyal, C. A. Schwerdtfeger, A. V. Soudackov, and S. Hammes-Schiffer, ·Nonadiabatic999dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine1000complex,· J. Phys. Chem. B 119, 2758-2768 (2015).

Institution fields

Peer reviewed: yes
First author: Goyal
Co-authors: P. Goyal; C. A. Schwerdtfeger; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex	Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol–amine complex
year cv	2015	2015
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	other
DOI crossref	10.1021/jp5126969
first author cv	Goyal	Goyal

Citations

OpenAlex: none
Scholar: 56
DOI: 10.1021/jp5126969

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the 2015 J. Phys. Chem. B paper concerning the solvated phenol-amine complex.

2015 Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1029–1031 · CV · published

1029200. A. V. Soudackov and S. Hammes-Schiffer, ·Nonadiabatic rate constants for proton transfer1030and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the1031vibronic coupling expansion,· J. Chem. Phys. 143, 194101 (2015).

Institution fields

Peer reviewed: yes
First author: Soudackov
Co-authors: A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion
year cv	2015
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.4935045
first author cv	Soudackov

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.4935045

Match decisions

No decision recorded; a single record.

2015 Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1010–1012 · CV · published

1010193. K. R. Brorsen, A. Sirjoosingh, M. V. Pak, and S. Hammes-Schiffer, ·Nuclear-electronic1011orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and1012open-shell systems,· J. Chem. Phys. 142, 214108 (2015).

Institution fields

Peer reviewed: yes
First author: Brorsen
Co-authors: K. R. Brorsen; A. Sirjoosingh; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems
year cv	2015
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.4921304
first author cv	Brorsen

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.4921304

Match decisions

No decision recorded; a single record.

2015 Perspectives on electrostatics and conformational motions in enzyme catalysis Accounts of Chemical Research article journal CV OA GS

CV span

lines 1001–1003 · CV · published

1001190. P. Hanoian, C. T. Liu, S. Hammes-Schiffer, and S. J. Benkovic, ·Perspectives on1002electrostatics and conformational motions in enzyme catalysis,· Acc. Chem. Res. 48, 482-4891003(2015).

Institution fields

Peer reviewed: yes
First author: Hanoian
Co-authors: P. Hanoian; C. T. Liu; S. Hammes-Schiffer; S. J. Benkovic
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Perspectives on electrostatics and conformational motions in enzyme catalysis	Perspectives on electrostatics and conformational motions in enzyme catalysis
year cv	2015	2015
venue crossref	Acc. Chem. Res.	Accounts of chemical research	Accounts of Chemical Research
kind cv	article	other
DOI crossref	10.1021/ar500390e
first author cv	Hanoian	Hanoian

Citations

OpenAlex: none
Scholar: 198
DOI: 10.1021/ar500390e

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Physical Chemistry for the Biological Sciences, 2nd Edition John Wiley & Sons, Inc., Hoboken book CV OA GS

CV span

lines 1707–1708 · CV · published

1707G. G. Hammes and S. Hammes-Schiffer, Physical Chemistry for the Biological Sciences, 2nd1708Edition. (John Wiley & Sons, Inc., Hoboken, 2015). ISBN: 978-1-118-85900-1

Institution fields

Peer reviewed: none
First author: Hammes
Co-authors: G. G. Hammes; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: John Wiley & Sons, Inc., Hoboken
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Physical Chemistry for the Biological Sciences, 2nd Edition
year cv	2015
venue cv	John Wiley & Sons, Inc., Hoboken
kind cv	book
first author cv	Hammes

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 Proton-coupled electron transfer: Moving together and charging forward Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1013–1014 · CV · published

1013194. S. Hammes-Schiffer, ·Proton-coupled electron transfer: Moving together and charging1014forward,· J. Am. Chem. Soc. 137, 8860-8871 (2015).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer: Moving together and charging forward	Proton-coupled electron transfer: Moving together and charging forward
year cv	2015	2015
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/jacs.5b04087
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 542
DOI: 10.1021/jacs.5b04087

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1007–1009 · CV · published

1007192. A. Sirjoosingh, M. V. Pak, K. R. Brorsen, and S. Hammes-Schiffer, ·Quantum treatment of1008protons with the reduced explicitly correlated Hartree-Fock approach,· J. Chem. Phys. 142,1009214107 (2015).

Institution fields

Peer reviewed: yes
First author: Sirjoosingh
Co-authors: A. Sirjoosingh; M. V. Pak; K. R. Brorsen; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach	Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach
year cv	2015	2015
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.4921303
first author cv	Sirjoosingh	Sirjoosingh

Citations

OpenAlex: none
Scholar: 48
DOI: 10.1063/1.4921303

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Relative binding free energies of adenine and guanine to damaged and undamaged DNA in human DNA polymerase : Clues for fidelity and overall efficiency Journal of the American Chemical Society article journal CV OA GS

CV span

lines 1024–1026 · CV · published

1024198. M. N. Ucisik and S. Hammes-Schiffer, ·Relative binding free energies of adenine and1025guanine to damaged and undamaged DNA in human DNA polymerase : Clues for fidelity and overall1026efficiency,· J. Am. Chem. Soc. 137, 13240-13243 (2015).

Institution fields

Peer reviewed: yes
First author: Ucisik
Co-authors: M. N. Ucisik; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Relative binding free energies of adenine and guanine to damaged and undamaged DNA in human DNA polymerase : Clues for fidelity and overall efficiency
year cv	2015
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/jacs.5b08451
first author cv	Ucisik

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.5b08451

Match decisions

No decision recorded; a single record.

2015 Role of solvent dynamics in photoinduced proton-coupled electron transfer in a phenol-amine complex in solution The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1015–1017 · CV · published

1015195. P. Goyal and S. Hammes-Schiffer, ·Role of solvent dynamics in photoinduced1016proton-coupled electron transfer in a phenol-amine complex in solution,· J. Phys. Chem. Lett.10176, 3515-3520 (2015).

Institution fields

Peer reviewed: yes
First author: Goyal
Co-authors: P. Goyal; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Role of solvent dynamics in photoinduced proton-coupled electron transfer in a phenol-amine complex in solution
year cv	2015
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/acs.jpclett.5b01475
first author cv	Goyal

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/acs.jpclett.5b01475

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the 2015 J. Phys. Chem. B paper concerning the solvated phenol-amine complex.

2015 Role of the active site guanine in the glmS ribozyme self-cleavage mechanism: Quantum mechanical/molecular mechanical free energy simulations Journal of the American Chemical Society article journal CV OA GS

CV span

lines 994–997 · CV · published

994188. S. Zhang, A. Ganguly, P. Goyal, J. L. Bingaman, P. C. Bevilacqua, and S.995Hammes-Schiffer, ·Role of the active site guanine in the glmS ribozyme self-cleavage996mechanism: Quantum mechanical/molecular mechanical free energy simulations,· J. Am. Chem.997Soc. 137, 784-798 (2015).

Institution fields

Peer reviewed: yes
First author: Zhang
Co-authors: S. Zhang; A. Ganguly; P. Goyal; J. L. Bingaman; P. C. Bevilacqua; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Role of the active site guanine in the glmS ribozyme self-cleavage mechanism: Quantum mechanical/molecular mechanical free energy simulations	Role of the active site guanine in the glmS ribozyme self-cleavage mechanism: Quantum mechanical/molecular mechanical free energy simulations
year cv	2015	2015
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja510387y
first author cv	Zhang	Zhang

Citations

OpenAlex: none
Scholar: 66
DOI: 10.1021/ja510387y

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Beyond the Born-Oppenheimer approximation with quantum Monte Carlo Physical Review A article journal CV OA GS

CV span

lines 982–983 · CV · published

982184. N. M. Tubman, I. Kylänpää, S. Hammes-Schiffer, and D. M. Ceperley, ·Beyond the983Born-Oppenheimer approximation with quantum Monte Carlo,· Phys. Rev. A 90, 042507 (2014).

Institution fields

Peer reviewed: yes
First author: Tubman
Co-authors: N. M. Tubman; I. Kylänpää; S. Hammes-Schiffer; D. M. Ceperley
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Beyond the Born-Oppenheimer approximation with quantum Monte Carlo
year cv	2014
venue crossref	Phys. Rev. A	Physical Review A
kind cv	article
DOI crossref	10.1103/physreva.90.042507
first author cv	Tubman

Citations

OpenAlex: none
Scholar: none
DOI: 10.1103/physreva.90.042507

Match decisions

No decision recorded; a single record.

2014 Computational investigation of [FeFe]-hydrogenase models: Characterization of singly and doubly protonated intermediates and mechanistic insights Inorganic Chemistry article journal CV OA GS

CV span

lines 972–974 · CV · published

972181. M. T. Huynh, W. Wang, T. B. Rauchfuss, and S. Hammes-Schiffer, ·Computational973investigation of [FeFe]-hydrogenase models: Characterization of singly and doubly protonated974intermediates and mechanistic insights,· Inorg. Chem. 53, 10301-10311 (2014).

Institution fields

Peer reviewed: yes
First author: Huynh
Co-authors: M. T. Huynh; W. Wang; T. B. Rauchfuss; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Computational investigation of [FeFe]-hydrogenase models: Characterization of singly and doubly protonated intermediates and mechanistic insights	Computational investigation of [FeFe]-hydrogenase models: characterization of singly and doubly protonated intermediates and mechanistic insights
year cv	2014	2014
venue crossref	Inorg. Chem.	Inorganic chemistry	Inorganic Chemistry
kind cv	article	other
DOI crossref	10.1021/ic5013523
first author cv	Huynh	Huynh

Citations

OpenAlex: none
Scholar: 50
DOI: 10.1021/ic5013523

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Electrochemical solvent reorganization energies in the framework of the polarizable continuum model Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 955–957 · CV · published

955176. S. Ghosh, S. Horvath, A. V. Soudackov, and S. Hammes-Schiffer, ·Electrochemical solvent956reorganization energies in the framework of the polarizable continuum model,· J. Chem. Theory957Comput. 10, 2091-2102 (2014).

Institution fields

Peer reviewed: yes
First author: Ghosh
Co-authors: S. Ghosh; S. Horvath; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Electrochemical solvent reorganization energies in the framework of the polarizable continuum model	Electrochemical solvent reorganization energies in the framework of the polarizable continuum model
year cv	2014	2014
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI crossref	10.1021/ct500051e
first author cv	Ghosh	Ghosh

Citations

OpenAlex: none
Scholar: 61
DOI: 10.1021/ct500051e

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Escherichia coli dihydrofolate reductase catalyzed proton and hydride transfers: Temporal order and the roles of Asp27 and Tyr100 Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 984–987 · CV · published

984185.C. T. Liu, K. Francis, J. Layfield, X. Huang, S. Hammes-Schiffer, A. Kohen, S. J.985Benkovic, ·Escherichia coli dihydrofolate reductase catalyzed proton and hydride transfers:986Temporal order and the roles of Asp27 and Tyr100,· Proc. Nat. Acad. Sci. USA 111, 18231-18236987(2014).

Institution fields

Peer reviewed: yes
First author: Liu
Co-authors: C. T. Liu; K. Francis; J. Layfield; X. Huang; S. Hammes-Schiffer; A. Kohen; S. J. Benkovic
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Escherichia coli dihydrofolate reductase catalyzed proton and hydride transfers: Temporal order and the roles of Asp27 and Tyr100	Escherichia coli dihydrofolate reductase catalyzed proton and hydride transfers: Temporal order and the roles of Asp27 and Tyr100
year cv	2014	2014
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	other
DOI crossref	10.1073/pnas.1415940111
first author cv	Liu	Liu

Citations

OpenAlex: none
Scholar: 87
DOI: 10.1073/pnas.1415940111

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Experimental and computational mutagenesis to investigate the positioning of a general base within an enzyme active site Biochemistry article journal CV OA GS

CV span

lines 951–954 · CV · published

951175. J. P. Schwans, P. Hanoian, B. J. Lengerich, F. Sunden, A. Gonzalez, Y. Tsai, S.952Hammes-Schiffer, and D. Herschlag, ·Experimental and computational mutagenesis to investigate953the positioning of a general base within an enzyme active site,· Biochemistry 53, 2541-2555954(2014).

Institution fields

Peer reviewed: yes
First author: Schwans
Co-authors: J. P. Schwans; P. Hanoian; B. J. Lengerich; F. Sunden; A. Gonzalez; Y. Tsai; S. Hammes-Schiffer; D. Herschlag
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Experimental and computational mutagenesis to investigate the positioning of a general base within an enzyme active site
year cv	2014
venue crossref	Biochemistry
kind cv	article
DOI crossref	10.1021/bi401671t
first author cv	Schwans

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/bi401671t

Match decisions

No decision recorded; a single record.

2014 Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation Journal of the American Chemical Society article journal CV OA GS

CV span

lines 961–964 · CV · published

961178. S. Hu, S. C. Sharma, A. D. Scouras, A. V. Soudackov, C. A. M. Carr, S. Hammes-Schiffer,962T. Alber, J. P. Klinman, ·Extremely elevated room-temperature kinetic isotope effects963quantify the critical role of barrier width in enzymatic C-H activation,· J. Am. Chem. Soc.964136, 8157-8160 (2014).

Institution fields

Peer reviewed: yes
First author: Hu
Co-authors: S. Hu; S. C. Sharma; A. D. Scouras; A. V. Soudackov; C. A. M. Carr; S. Hammes-Schiffer; T. Alber; J. P. Klinman
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation	Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C–H activation
year cv	2014	2014
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja502726s
first author cv	Hu	Hu

Citations

OpenAlex: none
Scholar: 112
DOI: 10.1021/ja502726s

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Hydrogen tunneling in enzymes and biomimetic models Chemical Reviews article journal CV OA GS

CV span

lines 939–940 · CV · published

939171. J. P. Layfield and S. Hammes-Schiffer, ·Hydrogen tunneling in enzymes and biomimetic940models,· Chem. Rev. 114, 3466-3494 (2014).

Institution fields

Peer reviewed: yes
First author: Layfield
Co-authors: J. P. Layfield; S. Hammes-Schiffer
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Hydrogen tunneling in enzymes and biomimetic models	Hydrogen tunneling in enzymes and biomimetic models
year cv	2014	2013
venue crossref	Chem. Rev.	Chemical reviews	Chemical Reviews
kind cv	article	other
DOI crossref	10.1021/cr400400p
first author cv	Layfield	Layfield

Citations

OpenAlex: none
Scholar: 298
DOI: 10.1021/cr400400p

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales The Journal of Chemical Physics article journal CV OA GS

CV span

lines 948–950 · CV · published

948174. C. A. Schwerdtfeger, A. V. Soudackov, and S. Hammes-Schiffer, ·Nonadiabatic dynamics of949electron transfer in solution: Explicit and implicit solvent treatments that include multiple950relaxation time scales,· J. Chem. Phys. 140, 034113 (2014).

Institution fields

Peer reviewed: yes
First author: Schwerdtfeger
Co-authors: C. A. Schwerdtfeger; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales
year cv	2014
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.4855295
first author cv	Schwerdtfeger

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.4855295

Match decisions

No decision recorded; a single record.

2014 Probing nonadiabaticity in the proton-coupled electron transfer reaction catalyzed by soybean lipoxygenase The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 975–977 · CV · published

975182. A. V. Soudackov and S. Hammes-Schiffer, ·Probing nonadiabaticity in the proton-coupled976electron transfer reaction catalyzed by soybean lipoxygenase,· J. Phys. Chem. Lett. 5,9773274-3278 (2014).

Institution fields

Peer reviewed: yes
First author: Soudackov
Co-authors: A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Probing nonadiabaticity in the proton-coupled electron transfer reaction catalyzed by soybean lipoxygenase	Probing nonadiabaticity in the proton-coupled electron transfer reaction catalyzed by soybean lipoxygenase
year cv	2014	2014
venue crossref	J. Phys. Chem. Lett.	the Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI crossref	10.1021/jz501655v
first author cv	Soudackov	Soudackov

Citations

OpenAlex: none
Scholar: 72
DOI: 10.1021/jz501655v

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase Journal of the American Chemical Society article journal CV OA GS

CV span

lines 965–968 · CV · published

965179. C. T. Liu, J. P. Layfield, R. J. Stewart III, J. B. French, P. Hanoian, J. B. Asbury, S.966Hammes-Schiffer, S. J. Benkovic, ·Probing the electrostatics of active site microenvironments967along the catalytic cycle for Escherichia coli dihydrofolate reductase,· J. Am. Chem. Soc.968136, 10349-10360 (2014).

Institution fields

Peer reviewed: yes
First author: Liu
Co-authors: C. T. Liu; J. P. Layfield; R. J. Stewart III; J. B. French; P. Hanoian; J. B. Asbury; S. Hammes-Schiffer; S. J. Benkovic
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase	Probing the Electrostatics of Active Site Microenvironments along the Catalytic Cycle for Escherichia coli Dihydrofolate Reductase
year cv	2014	2014
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja5038947
first author cv	Liu	Liu

Citations

OpenAlex: none
Scholar: 119
DOI: 10.1021/ja5038947

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel Journal of the American Chemical Society article journal CV OA GS

CV span

lines 969–971 · CV · published

969180. T. Huynh, D. Schilter, S. Hammes-Schiffer, and T. B. Rauchfuss, ·Protonation of970nickel-iron hydrogenase models proceeds after isomerization at nickel,· J. Am. Chem. Soc.971136, 12385-12395 (2014).

Institution fields

Peer reviewed: yes
First author: Huynh
Co-authors: T. Huynh; D. Schilter; S. Hammes-Schiffer; T. B. Rauchfuss
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel
year cv	2014
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/ja505783z
first author cv	Huynh

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/ja505783z

Match decisions

No decision recorded; a single record.

2014 Proton-coupled electron transfer in molecular electrocatalysis: Theoretical methods and design principles Inorganic Chemistry article journal CV OA GS

CV span

lines 958–960 · CV · published

958177. B. H. Solis and S. Hammes-Schiffer, ·Proton-coupled electron transfer in molecular959electrocatalysis: Theoretical methods and design principles,· Inorg. Chem. 53, 6427-6443960(2014).

Institution fields

Peer reviewed: yes
First author: Solis
Co-authors: B. H. Solis; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer in molecular electrocatalysis: Theoretical methods and design principles	Proton-coupled electron transfer in molecular electrocatalysis: theoretical methods and design principles
year cv	2014	2014
venue crossref	Inorg. Chem.	Inorganic Chemistry	Inorganic Chemistry
kind cv	article	other
DOI crossref	10.1021/ic5002896
first author cv	Solis	Solis

Citations

OpenAlex: none
Scholar: 235
DOI: 10.1021/ic5002896

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Quantum mechanical/molecular mechanical free energy simulations of the self-cleavage reaction in the hepatitis delta virus ribozyme Journal of the American Chemical Society article journal CV OA GS

CV span

lines 945–947 · CV · published

945173. A. Ganguly, P. Thaplyal, E. Rosta, P. C. Bevilacqua, and S. Hammes-Schiffer, ·Quantum946mechanical/molecular mechanical free energy simulations of the self-cleavage reaction in the947hepatitis delta virus ribozyme,· J. Am. Chem. Soc. 136, 1483-1496 (2014).

Institution fields

Peer reviewed: yes
First author: Ganguly
Co-authors: A. Ganguly; P. Thaplyal; E. Rosta; P. C. Bevilacqua; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Quantum mechanical/molecular mechanical free energy simulations of the self-cleavage reaction in the hepatitis delta virus ribozyme	Quantum mechanical/molecular mechanical free energy simulations of the self-cleavage reaction in the hepatitis delta virus ribozyme
year cv	2014	2014
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja4104217
first author cv	Ganguly	Ganguly

Citations

OpenAlex: none
Scholar: 88
DOI: 10.1021/ja4104217

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Role of pendant proton relays and proton-coupled electron transfer on the hydrogen evolution reaction by nickel hangman porphyrins Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 978–981 · CV · published

978183. D. K. Bediako, B. H. Solis, D. K. Dogutan, M. M. Roubelakis, A. G. Maher, C. H. Lee, M.979B. Chambers, S. Hammes-Schiffer, and D. G. Nocera, ·Role of pendant proton relays and980proton-coupled electron transfer on the hydrogen evolution reaction by nickel hangman981porphyrins,· Proc. Nat. Acad. Sci. USA 111, 15001-15006 (2014).

Institution fields

Peer reviewed: yes
First author: Bediako
Co-authors: D. K. Bediako; B. H. Solis; D. K. Dogutan; M. M. Roubelakis; A. G. Maher; C. H. Lee; M. B. Chambers; S. Hammes-Schiffer; D. G. Nocera
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Role of pendant proton relays and proton-coupled electron transfer on the hydrogen evolution reaction by nickel hangman porphyrins	Role of pendant proton relays and proton-coupled electron transfer on the hydrogen evolution reaction by nickel hangman porphyrins
year cv	2014	2014
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	other
DOI crossref	10.1073/pnas.1414908111
first author cv	Bediako	Bediako

Citations

OpenAlex: none
Scholar: 233
DOI: 10.1073/pnas.1414908111

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase Angew. Chem. Int. Ed. article journal CV OA GS

CV span

lines 941–944 · CV · published

941172. S. Chakraborty, J. Reed, M. Ross, M. J. Nilges, I. D. Petrik, S. Ghosh, S.942Hammes-Schiffer, J. T. Sage, Y. Zhang, C. E. Schulz, Y. Lu, ·Spectroscopic and computational943study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase,·944Angew. Chem. Int. Ed. 53, 2417-2421 (2014).

Institution fields

Peer reviewed: yes
First author: Chakraborty
Co-authors: S. Chakraborty; J. Reed; M. Ross; M. J. Nilges; I. D. Petrik; S. Ghosh; S. Hammes-Schiffer; J. T. Sage; Y. Zhang; C. E. Schulz; Y. Lu
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase	Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase
year cv	2014	2014
venue cv	Angew. Chem. Int. Ed.	Angewandte Chemie International Edition
kind cv	article	other
first author cv	Chakraborty	Chakraborty

Citations

OpenAlex: none
Scholar: 53

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Theoretical analysis of cobalt hangman porphyrins: Ligand dearomatization and mechanistic implications for hydrogen evolution ACS Catalysis article journal CV OA GS

CV span

lines 988–990 · CV · published

988186. B. H. Solis, A. G. Maher, T. Honda, D. C. Powers, D. G. Nocera, and S.989Hammes-Schiffer,·Theoretical analysis of cobalt hangman porphyrins: Ligand dearomatization990and mechanistic implications for hydrogen evolution,· ACS Catal. 4, 4516-4526 (2014).

Institution fields

Peer reviewed: yes
First author: Solis
Co-authors: B. H. Solis; A. G. Maher; T. Honda; D. C. Powers; D. G. Nocera; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical analysis of cobalt hangman porphyrins: Ligand dearomatization and mechanistic implications for hydrogen evolution	Theoretical analysis of cobalt hangman porphyrins: Ligand dearomatization and mechanistic implications for hydrogen evolution
year cv	2014	2014
venue crossref	ACS Catal.	ACS Catalysis	ACS Catalysis
kind cv	article	other
DOI crossref	10.1021/cs501454y
first author cv	Solis	Solis

Citations

OpenAlex: none
Scholar: 134
DOI: 10.1021/cs501454y

Match decisions

fingerprint merged · 1.00 · Run 18

2013 An Integrated Picture of HDV Ribozyme Catalysis Biophysics of RNA Folding chapter CV OA GS

CV span

lines 902–904 · CV · published

902158. B. L. Golden, S. Hammes-Schiffer, P. R. Carey, P. C. Bevilacqua, ·An Integrated Picture903of HDV Ribozyme Catalysis,· pp. 135-167 in Biophysics of RNA Folding, ed. R. Russell904(Springer, New York, 2013).

Institution fields

Peer reviewed: none
First author: Golden
Co-authors: B. L. Golden; S. Hammes-Schiffer; P. R. Carey; P. C. Bevilacqua
Subfield: other
Method: none
Invited: none
Publisher: Springer
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	An Integrated Picture of HDV Ribozyme Catalysis
year cv	2013
venue crossref	Biophysics of RNA Folding
kind cv	chapter
DOI crossref	10.1007/978-1-4614-4954-6_8
first author cv	Golden

Citations

OpenAlex: none
Scholar: none
DOI: 10.1007/978-1-4614-4954-6_8

Match decisions

No decision recorded; a single record.

2013 Calculation of vibrational shifts of nitrile probes in the active site of ketosteroid isomerase upon ligand binding Journal of the American Chemical Society article journal CV OA GS

CV span

lines 905–907 · CV · published

905159. J. P. Layfield and S. Hammes-Schiffer, ·Calculation of vibrational shifts of nitrile906probes in the active site of ketosteroid isomerase upon ligand binding,· J. Am. Chem. Soc.907135, 717-725 (2013).

Institution fields

Peer reviewed: yes
First author: Layfield
Co-authors: J. P. Layfield; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Calculation of vibrational shifts of nitrile probes in the active site of ketosteroid isomerase upon ligand binding	Calculation of vibrational shifts of nitrile probes in the active site of ketosteroid isomerase upon ligand binding
year cv	2013	2013
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja3084384
first author cv	Layfield	Layfield

Citations

OpenAlex: none
Scholar: 63
DOI: 10.1021/ja3084384

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Catalytic efficiency of enzymes: A theoretical analysis Biochemistry article journal CV OA GS

CV span

lines 911–912 · CV · published

911161. S. Hammes-Schiffer, ·Catalytic efficiency of enzymes: A theoretical analysis,·912Biochemistry 52, 2012-2020 (2013).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Catalytic efficiency of enzymes: A theoretical analysis	Catalytic efficiency of enzymes: a theoretical analysis
year cv	2013	2013
venue crossref	Biochemistry	Biochemistry
kind cv	article	other
DOI crossref	10.1021/bi301515j
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 120
DOI: 10.1021/bi301515j

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Charge-transfer excited states and proton transfer in model guanine-cytosine DNA duplexes in water The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 934–935 · CV · published

934169. C. Ko and S. Hammes-Schiffer, ·Charge-transfer excited states and proton transfer in935model guanine-cytosine DNA duplexes in water,· J. Phys. Chem. Lett. 4, 2540-2545 (2013).

Institution fields

Peer reviewed: yes
First author: Ko
Co-authors: C. Ko; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Charge-transfer excited states and proton transfer in model guanine-cytosine DNA duplexes in water
year cv	2013
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/jz401144c
first author cv	Ko

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jz401144c

Match decisions

No decision recorded; a single record.

2013 Effects of ligand modification and protonation on metal oxime hydrogen evolution electrocatalysts Inorganic Chemistry article journal CV OA GS

CV span

lines 925–927 · CV · published

925166. B. H. Solis, Y. Yu, and S. Hammes-Schiffer, ·Effects of ligand modification and926protonation on metal oxime hydrogen evolution electrocatalysts,· Inorg. Chem. 52, 6994-6999927(2013).

Institution fields

Peer reviewed: yes
First author: Solis
Co-authors: B. H. Solis; Y. Yu; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Effects of ligand modification and protonation on metal oxime hydrogen evolution electrocatalysts	Effects of ligand modification and protonation on metal oxime hydrogen evolution electrocatalysts
year cv	2013	2013
venue crossref	Inorg. Chem.	Inorganic Chemistry	Inorganic Chemistry
kind cv	article	other
DOI crossref	10.1021/ic400490y
first author cv	Solis	Solis

Citations

OpenAlex: none
Scholar: 103
DOI: 10.1021/ic400490y

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 922–924 · CV · published

922165. C. T. Liu, P. Hanoian, J. B. French, T. H. Pringle, S. Hammes-Schiffer,S. J. Benkovic,923·Functional significance of evolving protein sequence in dihydrofolate reductase from924bacteria to humans,· Proc. Nat. Acad. Sci. USA 110, 10159-10164 (2013).

Institution fields

Peer reviewed: yes
First author: Liu
Co-authors: C. T. Liu; P. Hanoian; J. B. French; T. H. Pringle; S. Hammes-Schiffer; S. J. Benkovic
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans	Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans
year cv	2013	2013
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	other
DOI crossref	10.1073/pnas.1307130110
first author cv	Liu	Liu

Citations

OpenAlex: none
Scholar: 122
DOI: 10.1073/pnas.1307130110

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Identification of the catalytic Mg2+ ion in the hepatitis delta virus ribozyme Biochemistry article journal CV OA GS

CV span

lines 913–915 · CV · published

913162. J. Chen, A. Ganguly, Z. Miswan, S. Hammes-Schiffer, P. C. Bevilacqua, and B. L. Golden,914·Identification of the catalytic Mg2+ ion in the hepatitis delta virus ribozyme,·915Biochemistry 52, 557-567 (2013).

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: J. Chen; A. Ganguly; Z. Miswan; S. Hammes-Schiffer; P. C. Bevilacqua; B. L. Golden
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Identification of the catalytic Mg2+ ion in the hepatitis delta virus ribozyme	Identification of the catalytic Mg2+ ion in the HDV Ribozyme
year cv	2013	2013
venue crossref	Biochemistry	Biochemistry
kind cv	article	other
DOI crossref	10.1021/bi3013092
first author cv	Chen	Chen

Citations

OpenAlex: none
Scholar: 51
DOI: 10.1021/bi3013092

Match decisions

fingerprint merged · 1.00 · Run 18

2013 pH-dependent reduction potentials and proton-coupled electron transfer mechanisms in hydrogen-producing nickel molecular electrocatalysts Inorganic Chemistry article journal CV OA GS

CV span

lines 919–921 · CV · published

919164.S. Horvath, L. E. Fernandez, A. M. Appel, and S. Hammes-Schiffer, ·pH-dependent reduction920potentials and proton-coupled electron transfer mechanisms in hydrogen-producing nickel921molecular electrocatalysts,· Inorg. Chem. 52, 3643-3652 (2013).

Institution fields

Peer reviewed: yes
First author: Horvath
Co-authors: S. Horvath; L. E. Fernandez; A. M. Appel; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	pH-dependent reduction potentials and proton-coupled electron transfer mechanisms in hydrogen-producing nickel molecular electrocatalysts	pH-Dependent reduction potentials and proton-coupled electron transfer mechanisms in hydrogen-producing nickel molecular electrocatalysts
year cv	2013	2013
venue crossref	Inorg. Chem.	Inorganic Chemistry	Inorganic Chemistry
kind cv	article	other
DOI crossref	10.1021/ic302056j
first author cv	Horvath	Horvath

Citations

OpenAlex: none
Scholar: 79
DOI: 10.1021/ic302056j

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Photoinduced proton-coupled electron transfer of hydrogen-bonded p-nitrophenyl-phenol-methylamine complex in solution The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 908–910 · CV · published

908160. C. Ko, B. H. Solis, A. V. Soudackov, and S. Hammes-Schiffer, ·Photoinduced909proton-coupled electron transfer of hydrogen-bonded p-nitrophenyl-phenol-methylamine complex910in solution,· J. Phys. Chem. B 117, 316-325 (2013).

Institution fields

Peer reviewed: yes
First author: Ko
Co-authors: C. Ko; B. H. Solis; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Photoinduced proton-coupled electron transfer of hydrogen-bonded p-nitrophenyl-phenol-methylamine complex in solution
year cv	2013
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp3107292
first author cv	Ko

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp3107292

Match decisions

No decision recorded; a single record.

2013 Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Applications to positronic molecular systems The Journal of Chemical Physics article journal CV OA GS

CV span

lines 931–933 · CV · published

931168. A. Sirjoosingh, M. V. Pak, C. Swalina, and S. Hammes-Schiffer, ·Reduced explicitly932correlated Hartree-Fock approach within the nuclear-electronic orbital framework:933Applications to positronic molecular systems,· J. Chem. Phys. 139, 034103 (2013).

Institution fields

Peer reviewed: yes
First author: Sirjoosingh
Co-authors: A. Sirjoosingh; M. V. Pak; C. Swalina; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Applications to positronic molecular systems
year cv	2013
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.4812259
first author cv	Sirjoosingh

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.4812259

Match decisions

No decision recorded; a single record.

2013 Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Theoretical formulation The Journal of Chemical Physics article journal CV OA GS

CV span

lines 928–930 · CV · published

928167.A. Sirjoosingh, M. V. Pak, C. Swalina, and S. Hammes-Schiffer, ·Reduced explicitly929correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Theoretical930formulation,· J. Chem. Phys. 139, 034102 (2013).

Institution fields

Peer reviewed: yes
First author: Sirjoosingh
Co-authors: A. Sirjoosingh; M. V. Pak; C. Swalina; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Theoretical formulation
year cv	2013
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.4812257
first author cv	Sirjoosingh

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.4812257

Match decisions

No decision recorded; a single record.

2013 Theoretical design of molecular electrocatalysts with flexible pendant amines for hydrogen production and oxidation The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 916–918 · CV · published

916163. L. E. Fernandez, S. Horvath, and S. Hammes-Schiffer, ·Theoretical design of molecular917electrocatalysts with flexible pendant amines for hydrogen production and oxidation,· J.918Phys. Chem. Lett. 4, 542-546 (2013).

Institution fields

Peer reviewed: yes
First author: Fernandez
Co-authors: L. E. Fernandez; S. Horvath; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Theoretical design of molecular electrocatalysts with flexible pendant amines for hydrogen production and oxidation
year cv	2013
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/jz3020277
first author cv	Fernandez

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jz3020277

Match decisions

No decision recorded; a single record.

2013 Thio effects and an unconventional metal ion rescue in the genomic hepatitis delta virus ribozyme Biochemistry article journal CV OA GS

CV span

lines 936–938 · CV · published

936170. P. Thaplyal, A. Ganguly, B. L. Golden, S. Hammes-Schiffer, and P. C. Bevilacqua, ·Thio937effects and an unconventional metal ion rescue in the genomic hepatitis delta virus938ribozyme,· Biochemistry 52, 6499-6514 (2013).

Institution fields

Peer reviewed: yes
First author: Thaplyal
Co-authors: P. Thaplyal; A. Ganguly; B. L. Golden; S. Hammes-Schiffer; P. C. Bevilacqua
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Thio effects and an unconventional metal ion rescue in the genomic hepatitis delta virus ribozyme	Thio Effects and an Unconventional Metal Ion Rescue in the Genomic HDV Ribozyme
year cv	2013	2013
venue crossref	Biochemistry	Biochemistry
kind cv	article	other
DOI crossref	10.1021/bi4000673
first author cv	Thaplyal	Thaplyal

Citations

OpenAlex: none
Scholar: 66
DOI: 10.1021/bi4000673

Match decisions

fingerprint merged · 1.00 · Run 18

2012 Analysis of electron-positron wavefunctions in the nuclear-electronic orbital framework The Journal of Chemical Physics article journal CV OA GS

CV span

lines 890–892 · CV · published

890154. C. Swalina, M. V. Pak, and S. Hammes-Schiffer, ·Analysis of electron-positron891wavefunctions in the nuclear-electronic orbital framework,· J. Chem. Phys. 136, 164105892(2012).

Institution fields

Peer reviewed: yes
First author: Swalina
Co-authors: C. Swalina; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Analysis of electron-positron wavefunctions in the nuclear-electronic orbital framework
year cv	2012
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.4704124
first author cv	Swalina

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.4704124

Match decisions

No decision recorded; a single record.

2012 Computational study of anomalous reduction potentials for hydrogen evolution catalyzed by cobalt dithiolene complexes Journal of the American Chemical Society article journal CV OA GS

CV span

lines 899–901 · CV · published

899157. B. H. Solis and S. Hammes-Schiffer, ·Computational study of anomalous reduction900potentials for hydrogen evolution catalyzed by cobalt dithiolene complexes,· J. Am. Chem.901Soc. 134, 15253-15256 (2012).

Institution fields

Peer reviewed: yes
First author: Solis
Co-authors: B. H. Solis; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Computational study of anomalous reduction potentials for hydrogen evolution catalyzed by cobalt dithiolene complexes	Computational study of anomalous reduction potentials for hydrogen evolution catalyzed by cobalt dithiolene complexes
year cv	2012	2012
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja306857q
first author cv	Solis	Solis

Citations

OpenAlex: none
Scholar: 149
DOI: 10.1021/ja306857q

Match decisions

fingerprint merged · 1.00 · Run 18

2012 Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 887–889 · CV · published

887153. S. Horvath, L. E. Fernandez, A. V. Soudackov, and S. Hammes-Schiffer, ·Insights into888proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production,·889Proc. Nat. Acad. Sci. USA 109, 15663-15668 (2012).

Institution fields

Peer reviewed: yes
First author: Horvath
Co-authors: S. Horvath; L. E. Fernandez; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production	Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production
year cv	2012	2012
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	other
DOI crossref	10.1073/pnas.1118333109
first author cv	Horvath	Horvath

Citations

OpenAlex: none
Scholar: 102
DOI: 10.1073/pnas.1118333109

Match decisions

gemini merged · 0.95 · Run 18 Both records correspond to the 2012 PNAS paper on insights into electrocatalytic H2 oxidation and production.

2012 Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlation The Journal of Chemical Physics article journal CV OA GS

CV span

lines 893–895 · CV · published

893155. A. Sirjoosingh, M. V. Pak, and S. Hammes-Schiffer, ·Multicomponent density functional894theory study of the interplay between electron-electron and electron-proton correlation,· J.895Chem. Phys. 136, 174114 (2012).

Institution fields

Peer reviewed: yes
First author: Sirjoosingh
Co-authors: A. Sirjoosingh; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlation	Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlation
year cv	2012	2012
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.4709609
first author cv	Sirjoosingh	Sirjoosingh

Citations

OpenAlex: none
Scholar: 56
DOI: 10.1063/1.4709609

Match decisions

fingerprint merged · 1.00 · Run 18

2012 Nonadiabatic dynamics of photoinduced proton-coupled electron transfer: Comparison of explicit and implicit solvent simulations The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 896–898 · CV · published

896156. B. Auer, A. V. Soudackov, and S. Hammes-Schiffer, ·Nonadiabatic dynamics of photoinduced897proton-coupled electron transfer: Comparison of explicit and implicit solvent simulations,·898J. Phys. Chem. B 116, 7695- 7708 (2012).

Institution fields

Peer reviewed: yes
First author: Auer
Co-authors: B. Auer; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nonadiabatic dynamics of photoinduced proton-coupled electron transfer: Comparison of explicit and implicit solvent simulations	Nonadiabatic dynamics of photoinduced proton-coupled electron transfer: Comparison of explicit and implicit solvent simulations
year cv	2012	2012
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	other
DOI crossref	10.1021/jp3031682
first author cv	Auer	Auer

Citations

OpenAlex: none
Scholar: 46
DOI: 10.1021/jp3031682

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the 2015 J. Phys. Chem. B paper concerning the solvated phenol-amine complex.

2012 Proton-coupled electron transfer: Classification scheme and guide to theoretical methods Energy & Environmental Science article journal CV OA GS

CV span

lines 885–886 · CV · published

885152. S. Hammes-Schiffer, ·Proton-coupled electron transfer: Classification scheme and guide886to theoretical methods,· Energy Environ. Sci. 5, 7696-7703 (2012).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer: Classification scheme and guide to theoretical methods	Proton-coupled electron transfer: classification scheme and guide to theoretical methods
year cv	2012	2012
venue crossref	Energy Environ. Sci.	Energy & Environmental Science	Energy & Environmental Science
kind cv	article	other
DOI crossref	10.1039/c2ee03361e
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 223
DOI: 10.1039/c2ee03361e

Match decisions

fingerprint merged · 1.00 · Run 18

2012 Theoretical analysis of the sequential proton-coupled electron transfer mechanisms for H2 oxidation and production pathways catalyzed by nickel molecular electrocatalysts The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 881–884 · CV · published

881151. L. E. Fernandez, S. Horvath, and S. Hammes-Schiffer, ·Theoretical analysis of the882sequential proton-coupled electron transfer mechanisms for H2 oxidation and production883pathways catalyzed by nickel molecular electrocatalysts,· J. Phys. Chem. C 116, 3171-3180884(2012).

Institution fields

Peer reviewed: yes
First author: Fernandez
Co-authors: L. E. Fernandez; S. Horvath; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical analysis of the sequential proton-coupled electron transfer mechanisms for H2 oxidation and production pathways catalyzed by nickel molecular electrocatalysts	Theoretical Analysis of the Sequential Proton-Coupled Electron Transfer Mechanisms for H2 Oxidation and Production Pathways Catalyzed by Nickel Molecular …
year cv	2012	2012
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C	The Journal of Physical Chemistry C
kind cv	article	other
DOI crossref	10.1021/jp210690q
first author cv	Fernandez	Fernandez

Citations

OpenAlex: none
Scholar: 79
DOI: 10.1021/jp210690q

Match decisions

gemini merged · 0.95 · Run 18 Both records correspond to the 2012 PNAS paper on insights into electrocatalytic H2 oxidation and production.

2011 Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach The Journal of Chemical Physics article journal CV OA GS

CV span

lines 858–860 · CV · published

858142. C. Ko, M. V. Pak, C. Swalina, and S. Hammes-Schiffer, ·Alternative wavefunction ansatz859for including explicit electron-proton correlation in the nuclear-electronic orbital860approach,· J. Chem. Phys. 135, 054106 (2011).

Institution fields

Peer reviewed: yes
First author: Ko
Co-authors: C. Ko; M. V. Pak; C. Swalina; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach
year cv	2011
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.3611054
first author cv	Ko

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.3611054

Match decisions

No decision recorded; a single record.

2011 Current theoretical challenges in proton-coupled electron transfer: Electron-proton nonadiabaticity, proton relays, and ultrafast dynamics The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 847–849 · CV · published

847138. S. Hammes-Schiffer, ·Current theoretical challenges in proton-coupled electron transfer:848Electron-proton nonadiabaticity, proton relays, and ultrafast dynamics,· J. Phys. Chem. Lett.8492, 1410-1416 (2011).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Current theoretical challenges in proton-coupled electron transfer: Electron-proton nonadiabaticity, proton relays, and ultrafast dynamics	Current theoretical challenges in proton-coupled electron transfer: Electron–proton nonadiabaticity, proton relays, and ultrafast dynamics
year cv	2011	2011
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI crossref	10.1021/jz200277p
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 68
DOI: 10.1021/jz200277p

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Derivation of an electron-proton correlation functional for multicomponent density functional theory within the nuclear-electronic orbital approach Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 866–868 · CV · published

866145. A. Sirjoosingh, M. V. Pak, and S. Hammes-Schiffer, ·Derivation of an electron-proton867correlation functional for multicomponent density functional theory within the868nuclear-electronic orbital approach,· J. Chem. Theory and Comput. 7, 2689-2693 (2011).

Institution fields

Peer reviewed: yes
First author: Sirjoosingh
Co-authors: A. Sirjoosingh; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Derivation of an electron-proton correlation functional for multicomponent density functional theory within the nuclear-electronic orbital approach	Derivation of an electron–proton correlation functional for multicomponent density functional theory within the nuclear–electronic orbital approach
year cv	2011	2011
venue crossref	J. Chem. Theory and Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI crossref	10.1021/ct200473r
first author cv	Sirjoosingh	Sirjoosingh

Citations

OpenAlex: none
Scholar: 49
DOI: 10.1021/ct200473r

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Diabatization schemes for generating charge-localized electron-proton vibronic states in proton-coupled electron transfer systems Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 863–865 · CV · published

863144. A. Sirjoosingh and S. Hammes-Schiffer, ·Diabatization schemes for generating864charge-localized electron-proton vibronic states in proton-coupled electron transfer865systems,· J. Chem. Theory and Comput. 7, 2831-2841 (2011).

Institution fields

Peer reviewed: yes
First author: Sirjoosingh
Co-authors: A. Sirjoosingh; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Diabatization schemes for generating charge-localized electron-proton vibronic states in proton-coupled electron transfer systems	Diabatization schemes for generating charge-localized electron–proton vibronic states in proton-coupled electron transfer systems
year cv	2011	2011
venue crossref	J. Chem. Theory and Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI crossref	10.1021/ct200356b
first author cv	Sirjoosingh	Sirjoosingh

Citations

OpenAlex: none
Scholar: 54
DOI: 10.1021/ct200356b

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Flexibility, diversity, and cooperativity: Pillars of enzyme catalysis Biochemistry article journal CV OA GS

CV span

lines 876–877 · CV · published

876149. G. G. Hammes, S. J. Benkovic, and S. Hammes-Schiffer, ·Flexibility, diversity, and877cooperativity: Pillars of enzyme catalysis,· Biochemistry 50, 10422-10430 (2011).

Institution fields

Peer reviewed: yes
First author: Hammes
Co-authors: G. G. Hammes; S. J. Benkovic; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Flexibility, diversity, and cooperativity: Pillars of enzyme catalysis	Flexibility, diversity, and cooperativity: pillars of enzyme catalysis
year cv	2011	2011
venue crossref	Biochemistry	Biochemistry
kind cv	article	other
DOI crossref	10.1021/bi201486f
first author cv	Hammes	Hammes

Citations

OpenAlex: none
Scholar: 329
DOI: 10.1021/bi201486f

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Isotope effects on the nonequilibrium dynamics of ultrafast photoinduced proton-coupled electron transfer reactions in solution The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 838–840 · CV · published

838135. A. Hazra, A. V. Soudackov, and S. Hammes-Schiffer, ·Isotope effects on the839nonequilibrium dynamics of ultrafast photoinduced proton-coupled electron transfer reactions840in solution,· J. Phys. Chem. Lett. 2, 36-40 (2011).

Institution fields

Peer reviewed: yes
First author: Hazra
Co-authors: A. Hazra; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Isotope effects on the nonequilibrium dynamics of ultrafast photoinduced proton-coupled electron transfer reactions in solution	Isotope effects on the nonequilibrium dynamics of ultrafast photoinduced proton-coupled electron transfer reactions in solution
year cv	2011	2011
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI crossref	10.1021/jz101532g
first author cv	Hazra	Hazra

Citations

OpenAlex: none
Scholar: 51
DOI: 10.1021/jz101532g

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Mechanistic strategies in the HDV ribozyme: Chelated and diffuse metal ion interactions and active site protonation The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 855–857 · CV · published

855141. N. Veeraraghavan, A. Ganguly, B. L. Golden, P. C. Bevilacqua,and S. Hammes-Schiffer,856·Mechanistic strategies in the HDV ribozyme: Chelated and diffuse metal ion interactions and857active site protonation,· J. Phys. Chem. B 115, 8346-8357 (2011).

Institution fields

Peer reviewed: yes
First author: Veeraraghavan
Co-authors: N. Veeraraghavan; A. Ganguly; B. L. Golden; P. C. Bevilacqua; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Mechanistic strategies in the HDV ribozyme: Chelated and diffuse metal ion interactions and active site protonation
year cv	2011
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp203202e
first author cv	Veeraraghavan

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp203202e

Match decisions

No decision recorded; a single record.

2011 Metal binding motif in the active site of the HDV ribozyme binds divalent and monovalent ions Biochemistry article journal CV OA GS needs review

CV span

lines 842–846 · CV · unverified · published

842atom transfer: Generation of charge-localized diabatic states,· J. Phys. Chem. A 115, 2367-8432377 (2011).844137. N. Veeraraghavan, A. Ganguly, J.-H. Chen, P. C. Bevilacqua, S. Hammes-Schiffer, and B.845L. Golden, ·Metal binding motif in the active site of the HDV ribozyme binds divalent and846monovalent ions,· Biochemistry 50, 2672-2682 (2011).

Institution fields

Peer reviewed: yes
First author: Veeraraghavan
Co-authors: N. Veeraraghavan; A. Ganguly; J.-H. Chen; P. C. Bevilacqua; S. Hammes-Schiffer; B. L. Golden
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title scholar	Metal binding motif in the active site of the HDV ribozyme binds divalent and monovalent ions	Metal binding motif in the active site of the HDV ribozyme binds divalent and monovalent ions
year cv	2011	2011
venue cv	Biochemistry	Biochemistry
kind cv	article	other
first author cv	Veeraraghavan	Veeraraghavan

Citations

OpenAlex: none
Scholar: 58

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: Sequential, concerted, and complex branching mechanisms The Journal of Chemical Physics article journal CV OA GS

CV span

lines 871–873 · CV · published

871147. A. V. Soudackov, A. Hazra, and S. Hammes-Schiffer, ·Multidimensional treatment of872stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes:873Sequential, concerted, and complex branching mechanisms,· J. Chem. Phys. 135, 144115 (2011).

Institution fields

Peer reviewed: yes
First author: Soudackov
Co-authors: A. V. Soudackov; A. Hazra; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: Sequential, concerted, and complex branching mechanisms
year cv	2011
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.3651083
first author cv	Soudackov

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.3651083

Match decisions

No decision recorded; a single record.

2011 Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic states J. Phys. Chem. A article journal CV OA GS needs review

CV span

lines 841–843 · CV · unverified · published

841136. A. Sirjoosingh and S. Hammes-Schiffer, ·Proton-coupled electron transfer versus hydrogen842atom transfer: Generation of charge-localized diabatic states,· J. Phys. Chem. A 115, 2367-8432377 (2011).

Institution fields

Peer reviewed: yes
First author: Sirjoosingh
Co-authors: A. Sirjoosingh; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title scholar	Proton-coupled electron transfer versus hydrogen atom transfer: Generation of charge-localized diabatic states	Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic states
year cv	2011	2011
venue cv	J. Phys. Chem. A	The Journal of Physical Chemistry A
kind cv	article	other
first author cv	Sirjoosingh	Sirjoosingh

Citations

OpenAlex: none
Scholar: 207

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Quantum mechanical/molecular mechanical study of the HDV Ribozyme: Impact of the catalytic metal ion on the mechanism The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 878–880 · CV · published

878150. A. Ganguly, P. C. Bevilacqua, and S. Hammes-Schiffer, ·Quantum mechanical/molecular879mechanical study of the HDV Ribozyme: Impact of the catalytic metal ion on the mechanism,· J.880Phys. Chem. Lett. 2, 2906-2911 (2011).

Institution fields

Peer reviewed: yes
First author: Ganguly
Co-authors: A. Ganguly; P. C. Bevilacqua; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Quantum mechanical/molecular mechanical study of the HDV Ribozyme: Impact of the catalytic metal ion on the mechanism
year cv	2011
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters
kind cv	article
DOI crossref	10.1021/jz2013215
first author cv	Ganguly

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jz2013215

Match decisions

No decision recorded; a single record.

2011 Substituent effects on cobalt diglyoxime catalysts for hydrogen evolution Journal of the American Chemical Society article journal CV OA GS

CV span

lines 874–875 · CV · published

874148. B. H. Solis and S. Hammes-Schiffer, ·Substituent effects on cobalt diglyoxime catalysts875for hydrogen evolution,· J. Am. Chem. Soc. 133, 19036-19039 (2011).

Institution fields

Peer reviewed: yes
First author: Solis
Co-authors: B. H. Solis; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Substituent effects on cobalt diglyoxime catalysts for hydrogen evolution	Substituent effects on cobalt diglyoxime catalysts for hydrogen evolution
year cv	2011	2011
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja208091e
first author cv	Solis	Solis

Citations

OpenAlex: none
Scholar: 172
DOI: 10.1021/ja208091e

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Theoretical analysis of mechanistic pathways for hydrogen evolution catalyzed by cobaloximes Inorganic Chemistry article journal CV OA GS

CV span

lines 869–870 · CV · published

869146. B. H. Solis and S. Hammes-Schiffer, ·Theoretical analysis of mechanistic pathways for870hydrogen evolution catalyzed by cobaloximes,· Inorg. Chem. 50, 11252-11262 (2011).

Institution fields

Peer reviewed: yes
First author: Solis
Co-authors: B. H. Solis; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical analysis of mechanistic pathways for hydrogen evolution catalyzed by cobaloximes	Theoretical analysis of mechanistic pathways for hydrogen evolution catalyzed by cobaloximes
year cv	2011	2011
venue crossref	Inorg. Chem.	Inorganic chemistry	Inorganic Chemistry
kind cv	article	other
DOI crossref	10.1021/ic201842v
first author cv	Solis	Solis

Citations

OpenAlex: none
Scholar: 255
DOI: 10.1021/ic201842v

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Theoretical analysis of proton relays in electrochemical proton-coupled electron transfer Journal of the American Chemical Society article journal CV OA GS

CV span

lines 850–852 · CV · published

850139. B. Auer, L. E. Fernandez, and S. Hammes-Schiffer, ·Theoretical analysis of proton relays851in electrochemical proton-coupled electron transfer,· J. Am. Chem. Soc. 133, 8282-8292852(2011).

Institution fields

Peer reviewed: yes
First author: Auer
Co-authors: B. Auer; L. E. Fernandez; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical analysis of proton relays in electrochemical proton-coupled electron transfer	Theoretical analysis of proton relays in electrochemical proton-coupled electron transfer
year cv	2011	2011
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja201560v
first author cv	Auer	Auer

Citations

OpenAlex: none
Scholar: 79
DOI: 10.1021/ja201560v

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Water in the active site of ketosteroid isomerase Biochemistry article journal CV OA GS

CV span

lines 861–862 · CV · published

861143. P. Hanoian and S. Hammes-Schiffer, ·Water in the active site of ketosteroid isomerase,·862Biochemistry 50, 6689-6700 (2011).

Institution fields

Peer reviewed: yes
First author: Hanoian
Co-authors: P. Hanoian; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Water in the active site of ketosteroid isomerase
year cv	2011
venue crossref	Biochemistry
kind cv	article
DOI crossref	10.1021/bi200703y
first author cv	Hanoian

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/bi200703y

Match decisions

No decision recorded; a single record.

2011 When electrons and protons get excited Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 853–854 · CV · published

853140. S. Hammes-Schiffer, ·When electrons and protons get excited,· Proc. Nat. Acad. Sci. USA854108, 8531-8532 (2011).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	When electrons and protons get excited
year cv	2011
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences
kind cv	article
DOI crossref	10.1073/pnas.1105806108
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1073/pnas.1105806108

Match decisions

No decision recorded; a single record.

2010 Coupled motions in enzyme catalysis Current Opinion in Chemical Biology article journal CV OA GS

CV span

lines 829–830 · CV · published

829131. V. C. Nashine, S. Hammes-Schiffer, and S. J. Benkovic, ·Coupled motions in enzyme830catalysis,· Curr. Op. Chem. Biol. 14, 644-651 (2010).

Institution fields

Peer reviewed: yes
First author: Nashine
Co-authors: V. C. Nashine; S. Hammes-Schiffer; S. J. Benkovic
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Coupled motions in enzyme catalysis	Coupled motions in enzyme catalysis
year cv	2010	2010
venue crossref	Curr. Op. Chem. Biol.	Current opinion in chemical biology	Current Opinion in Chemical Biology
kind cv	article	other
DOI crossref	10.1016/j.cbpa.2010.07.020
first author cv	Nashine	Nashine

Citations

OpenAlex: none
Scholar: 219
DOI: 10.1016/j.cbpa.2010.07.020

Match decisions

fingerprint merged · 1.00 · Run 18

2010 Dynamics of photoinduced proton-coupled electron transfer at molecule-semiconductor interfaces: A reduced density approach The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 805–807 · CV · published

805122. C. Venkataraman, A. V. Soudackov, and S. Hammes-Schiffer, ·Dynamics of photoinduced806proton-coupled electron transfer at molecule-semiconductor interfaces: A reduced density807approach,· J. Phys. Chem. C 114, 487-496 (2010).

Institution fields

Peer reviewed: yes
First author: Venkataraman
Co-authors: C. Venkataraman; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Dynamics of photoinduced proton-coupled electron transfer at molecule-semiconductor interfaces: A reduced density approach
year cv	2010
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C
kind cv	article
DOI crossref	10.1021/jp908798n
first author cv	Venkataraman

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp908798n

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the review article regarding the theory of coupled electron and proton transfer reactions in 2010.

2010 Electrochemical proton-coupled electron transfer of an osmium aquo complex: Theoretical analysis of asymmetric Tafel plots and transfer coefficients Journal of the American Chemical Society article journal CV OA GS

CV span

lines 810–812 · CV · published

810124. M. K. Ludlow, A. V. Soudackov, and S. Hammes-Schiffer, ·Electrochemical proton-coupled811electron transfer of an osmium aquo complex: Theoretical analysis of asymmetric Tafel plots812and transfer coefficients,· J. Am. Chem. Soc. 132, 1234-1235 (2010).

Institution fields

Peer reviewed: yes
First author: Ludlow
Co-authors: M. K. Ludlow; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Electrochemical proton-coupled electron transfer of an osmium aquo complex: Theoretical analysis of asymmetric Tafel plots and transfer coefficients
year cv	2010
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/ja910277p
first author cv	Ludlow

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/ja910277p

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the review article regarding the theory of coupled electron and proton transfer reactions in 2010.

2010 Hydrogen bonding in the active site of ketosteroid isomerase: Electronic inductive effects and hydrogen bond coupling Biochemistry article journal CV OA GS

CV span

lines 835–837 · CV · published

835134. P. Hanoian, P. A. Sigala, D. Herschlag, and S. Hammes-Schiffer, ·Hydrogen bonding in the836active site of ketosteroid isomerase: Electronic inductive effects and hydrogen bond837coupling,· Biochemistry 49, 10339-10348 (2010).

Institution fields

Peer reviewed: yes
First author: Hanoian
Co-authors: P. Hanoian; P. A. Sigala; D. Herschlag; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Hydrogen bonding in the active site of ketosteroid isomerase: Electronic inductive effects and hydrogen bond coupling	Hydrogen bonding in the active site of ketosteroid isomerase: Electronic inductive effects and hydrogen bond coupling
year cv	2010	2010
venue crossref	Biochemistry	Biochemistry
kind cv	article	other
DOI crossref	10.1021/bi101428e
first author cv	Hanoian	Hanoian

Citations

OpenAlex: none
Scholar: 48
DOI: 10.1021/bi101428e

Match decisions

fingerprint merged · 1.00 · Run 18

2010 Impact of distal mutation on hydrogen transfer interface and substrate conformation in soybean lipoxygenase The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 815–817 · CV · published

815126. S. J. Edwards, A. V. Soudackov, and S. Hammes-Schiffer, ·Impact of distal mutation on816hydrogen transfer interface and substrate conformation in soybean lipoxygenase,· J. Phys.817Chem. B 114, 6653-6660 (2010).

Institution fields

Peer reviewed: yes
First author: Edwards
Co-authors: S. J. Edwards; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Impact of distal mutation on hydrogen transfer interface and substrate conformation in soybean lipoxygenase	Impact of distal mutation on hydrogen transfer interface and substrate conformation in soybean lipoxygenase
year cv	2010	2010
venue crossref	J. Phys. Chem. B	The journal of physical chemistry. B	The Journal of Physical Chemistry B
kind cv	article	other
DOI crossref	10.1021/jp100133p
first author cv	Edwards	Edwards

Citations

OpenAlex: none
Scholar: 49
DOI: 10.1021/jp100133p

Match decisions

fingerprint merged · 1.00 · Run 18

2010 Impact of mutation on proton transfer reactions in ketosteroid isomerase: Insights from molecular dynamics simulations Journal of the American Chemical Society article journal CV OA GS

CV span

lines 818–820 · CV · published

818127. D. K. Chakravorty and S. Hammes-Schiffer, ·Impact of mutation on proton transfer819reactions in ketosteroid isomerase: Insights from molecular dynamics simulations,· J. Am.820Chem. Soc. 132, 7549-7555 (2010).

Institution fields

Peer reviewed: yes
First author: Chakravorty
Co-authors: D. K. Chakravorty; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Impact of mutation on proton transfer reactions in ketosteroid isomerase: Insights from molecular dynamics simulations
year cv	2010
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society
kind cv	article
DOI crossref	10.1021/ja102714u
first author cv	Chakravorty

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/ja102714u

Match decisions

No decision recorded; a single record.

2010 Introduction: Proton-coupled electron transfer Chemical Reviews article journal CV OA GS

CV span

lines 833–834 · CV · published

833133. S. Hammes-Schiffer, ·Introduction: Proton-coupled electron transfer,· Chem. Rev. 110,8346937-6938 (2010).

Institution fields

Peer reviewed: no
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Introduction: Proton-coupled electron transfer	Introduction: Proton-coupled electron transfer
year cv	2010	2010
venue crossref	Chem. Rev.	Chemical reviews	Chemical Reviews
kind scholar	other	other
DOI crossref	10.1021/cr100367q
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 228
DOI: 10.1021/cr100367q

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the review article regarding the theory of coupled electron and proton transfer reactions in 2010.

2010 Localized Hartree product treatment of multiple protons in the nuclear-electronic orbital framework The Journal of Chemical Physics article journal CV OA GS

CV span

lines 813–814 · CV · published

813125. B. Auer and S. Hammes-Schiffer, ·Localized Hartree product treatment of multiple protons814in the nuclear-electronic orbital framework,· J. Chem. Phys. 132, 084110 (2010).

Institution fields

Peer reviewed: yes
First author: Auer
Co-authors: B. Auer; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Localized Hartree product treatment of multiple protons in the nuclear-electronic orbital framework
year cv	2010
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.3332769
first author cv	Auer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.3332769

Match decisions

No decision recorded; a single record.

2010 Long-distance communication in the HDV ribozyme: Insights from molecular dynamics and experiments Journal of Molecular Biology article journal CV OA GS

CV span

lines 823–825 · CV · published

823129. N. Veeraraghavan, P. C. Bevilacqua, and S. Hammes-Schiffer, ·Long-distance communication824in the HDV ribozyme: Insights from molecular dynamics and experiments,· J. Mol. Biol. 402,825278-291 (2010).

Institution fields

Peer reviewed: yes
First author: Veeraraghavan
Co-authors: N. Veeraraghavan; P. C. Bevilacqua; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Long-distance communication in the HDV ribozyme: Insights from molecular dynamics and experiments
year cv	2010
venue crossref	J. Mol. Biol.	Journal of Molecular Biology
kind cv	article
DOI crossref	10.1016/j.jmb.2010.07.025
first author cv	Veeraraghavan

Citations

OpenAlex: none
Scholar: none
DOI: 10.1016/j.jmb.2010.07.025

Match decisions

No decision recorded; a single record.

2010 Nuclear-electronic orbital method within the fragment molecular orbital approach The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 808–809 · CV · published

808123. B. Auer, M. V. Pak, and S. Hammes-Schiffer, ·Nuclear-electronic orbital method within809the fragment molecular orbital approach,· J. Phys. Chem. C 114, 5582-5588 (2010).

Institution fields

Peer reviewed: yes
First author: Auer
Co-authors: B. Auer; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Nuclear-electronic orbital method within the fragment molecular orbital approach
year cv	2010
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C
kind cv	article
DOI crossref	10.1021/jp907193g
first author cv	Auer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp907193g

Match decisions

No decision recorded; a single record.

2010 Role of solvent dynamics in ultrafast photoinduced proton-coupled electron transfer reactions in solution The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 826–828 · CV · published

826130. A. Hazra, A. V. Soudackov, and S. Hammes-Schiffer, ·Role of solvent dynamics in827ultrafast photoinduced proton-coupled electron transfer reactions in solution,· J. Phys.828Chem. B 114, 12319-12332 (2010).

Institution fields

Peer reviewed: yes
First author: Hazra
Co-authors: A. Hazra; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Role of solvent dynamics in ultrafast photoinduced proton-coupled electron transfer reactions in solution	Role of solvent dynamics in ultrafast photoinduced proton-coupled electron transfer reactions in solution
year cv	2010	2010
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	other
DOI crossref	10.1021/jp1051547
first author cv	Hazra	Hazra

Citations

OpenAlex: none
Scholar: 84
DOI: 10.1021/jp1051547

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the review article regarding the theory of coupled electron and proton transfer reactions in 2010.

2010 Theoretical perspectives of DNA: Editorial J. Phys. Chem. Lett. other journal CV OA GS

CV span

lines 821–822 · CV · published

821128. S. Hammes-Schiffer, ·Theoretical perspectives of DNA: Editorial,· J. Phys. Chem. Lett.8221, 1906 (2010).

Institution fields

Peer reviewed: no
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Theoretical perspectives of DNA: Editorial
year cv	2010
venue cv	J. Phys. Chem. Lett.
kind cv	other
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2010 Theory of coupled electron and proton transfer reactions Chemical Reviews article journal CV OA GS

CV span

lines 831–832 · CV · published

831132. S. Hammes-Schiffer and A. A. Stuchebrukhov, ·Theory of coupled electron and proton832transfer reactions,· Chem. Rev. 110, 6939-6960 (2010).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; A. A. Stuchebrukhov
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theory of coupled electron and proton transfer reactions	Theory of coupled electron and proton transfer reactions
year cv	2010	2010
venue crossref	Chem. Rev.	Chemical reviews	Chemical Reviews
kind cv	article	other
DOI crossref	10.1021/cr1001436
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 979
DOI: 10.1021/cr1001436

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records match on the review article regarding the theory of coupled electron and proton transfer reactions in 2010.

2009 Analysis of kinetic isotope effects for proton-coupled electron transfer reactions The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 771–773 · CV · published

771110. S. J. Edwards, A. V. Soudackov, and S. Hammes-Schiffer, ·Analysis of kinetic isotope772effects for proton-coupled electron transfer reactions,· J. Phys. Chem. A 113, 2117-2126773(2009).

Institution fields

Peer reviewed: yes
First author: Edwards
Co-authors: S. J. Edwards; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Analysis of kinetic isotope effects for proton-coupled electron transfer reactions	Analysis of kinetic isotope effects for proton-coupled electron transfer reactions
year cv	2009	2009
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI crossref	10.1021/jp809122y
first author cv	Edwards	Edwards

Citations

OpenAlex: none
Scholar: 159
DOI: 10.1021/jp809122y

Match decisions

fingerprint merged · 1.00 · Run 18

2009 Artificial photosynthesis and solar fuels: Guest editorial Acc. Chem. Res. article journal CV OA GS

CV span

lines 791–792 · CV · published

791117. L. Hammarström and S. Hammes-Schiffer, ·Artificial photosynthesis and solar fuels: Guest792editorial,· Acc. Chem. Res. 42, 1859-1860 (2009).

Institution fields

Peer reviewed: no
First author: Hammarström
Co-authors: L. Hammarström; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Artificial photosynthesis and solar fuels: Guest editorial	Artificial photosynthesis and solar fuels
year cv	2009	2009
venue cv	Acc. Chem. Res.	Accounts of chemical research
kind scholar	other	other
first author cv	Hammarström	Hammarström

Citations

OpenAlex: none
Scholar: 380

Match decisions

fingerprint merged · 1.00 · Run 18

2009 Calculation of the positron annihilation rate in PsH with the positronic extension of the explicitly correlated nuclear-electronic orbital method The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 777–780 · CV · published

777112. M. V. Pak, A. Chakraborty, and S. Hammes-Schiffer, ·Calculation of the positron778annihilation rate in PsH with the positronic extension of the explicitly correlated779nuclear-electronic orbital method,· J. Phys. Chem. A 113, 4004-4008 (2009). Correction: J.780Phys. Chem. A (2012).

Institution fields

Peer reviewed: yes
First author: Pak
Co-authors: M. V. Pak; A. Chakraborty; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Calculation of the positron annihilation rate in PsH with the positronic extension of the explicitly correlated nuclear-electronic orbital method
year cv	2009
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A
kind cv	article
DOI crossref	10.1021/jp810410y
first author cv	Pak

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp810410y

Match decisions

No decision recorded; a single record.

2009 Combining the nuclear-electronic orbital approach with vibronic coupling theory: Calculation of the tunneling splitting for malonaldehyde The Journal of Chemical Physics article journal CV OA GS

CV span

lines 774–776 · CV · published

774111. A. Hazra, J. H. Skone, and S. Hammes-Schiffer, ·Combining the nuclear-electronic orbital775approach with vibronic coupling theory: Calculation of the tunneling splitting for776malonaldehyde,· J. Chem. Phys. 130, 054108 (2009).

Institution fields

Peer reviewed: yes
First author: Hazra
Co-authors: A. Hazra; J. H. Skone; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Combining the nuclear-electronic orbital approach with vibronic coupling theory: Calculation of the tunneling splitting for malonaldehyde
year cv	2009
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.3068526
first author cv	Hazra

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.3068526

Match decisions

No decision recorded; a single record.

2009 Computational approach for ranking mutant enzymes according to catalytic reaction rates The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 781–783 · CV · published

781113. M. Kumarasiri, G. A. Baker, A. V. Soudackov, and S. Hammes-Schiffer, ·Computational782approach for ranking mutant enzymes according to catalytic reaction rates,· J. Phys. Chem. B783113, 3579-3583 (2009).

Institution fields

Peer reviewed: yes
First author: Kumarasiri
Co-authors: M. Kumarasiri; G. A. Baker; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Computational approach for ranking mutant enzymes according to catalytic reaction rates
year cv	2009
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp810363k
first author cv	Kumarasiri

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp810363k

Match decisions

No decision recorded; a single record.

2009 Driving force dependence of rates for nonadiabatic proton and proton-coupled electron transfer: Conditions for inverted region behavior The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 798–800 · CV · published

798120. S. J. Edwards, A. V. Soudackov, and S. Hammes-Schiffer, ·Driving force dependence of799rates for nonadiabatic proton and proton-coupled electron transfer: Conditions for inverted800region behavior,· J. Phys. Chem. B 113, 14545-14548 (2009).

Institution fields

Peer reviewed: yes
First author: Edwards
Co-authors: S. J. Edwards; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Driving force dependence of rates for nonadiabatic proton and proton-coupled electron transfer: Conditions for inverted region behavior
year cv	2009
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp907808t
first author cv	Edwards

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp907808t

Match decisions

No decision recorded; a single record.

2009 Electrochemical proton-coupled electron transfer: Beyond the golden rule The Journal of Chemical Physics article journal CV OA GS

CV span

lines 787–788 · CV · published

787115. I. Navrotskaya and S. Hammes-Schiffer, ·Electrochemical proton-coupled electron788transfer: Beyond the golden rule,· J. Chem. Phys. 131, 024112 (2009).

Institution fields

Peer reviewed: yes
First author: Navrotskaya
Co-authors: I. Navrotskaya; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Electrochemical proton-coupled electron transfer: Beyond the golden rule
year cv	2009
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.3158828
first author cv	Navrotskaya

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.3158828

Match decisions

No decision recorded; a single record.

2009 Hybrid quantum/classical molecular dynamics simulations of the proton transfer reactions catalyzed by ketosteroid isomerase: Analysis of hydrogen bonding, conformational motions, and electrostatics Biochemistry article journal CV OA GS

CV span

lines 801–804 · CV · published

801121. D. K. Chakravorty, A. V. Soudackov, and S. Hammes-Schiffer, ·Hybrid quantum/classical802molecular dynamics simulations of the proton transfer reactions catalyzed by ketosteroid803isomerase: Analysis of hydrogen bonding, conformational motions, and electrostatics,·804Biochemistry 48, 10608-10619 (2009).

Institution fields

Peer reviewed: yes
First author: Chakravorty
Co-authors: D. K. Chakravorty; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Hybrid quantum/classical molecular dynamics simulations of the proton transfer reactions catalyzed by ketosteroid isomerase: Analysis of hydrogen bonding, conformational motions, and electrostatics	Hybrid quantum/classical molecular dynamics simulations of the proton transfer reactions catalyzed by ketosteroid isomerase: Analysis of hydrogen bonding, conformational …
year cv	2009	2009
venue crossref	Biochemistry	Biochemistry
kind cv	article	other
DOI crossref	10.1021/bi901353v
first author cv	Chakravorty	Chakravorty

Citations

OpenAlex: none
Scholar: 47
DOI: 10.1021/bi901353v

Match decisions

fingerprint merged · 1.00 · Run 18

2009 Photoinduced homogeneous proton-coupled electron transfer: Model study of isotope effects on reaction dynamics The Journal of Chemical Physics article journal CV OA GS

CV span

lines 795–797 · CV · published

795119. C. Venkataraman, A. V. Soudackov, and S. Hammes-Schiffer, ·Photoinduced homogeneous796proton-coupled electron transfer: Model study of isotope effects on reaction dynamics,· J.797Chem. Phys. 131, 154502 (2009).

Institution fields

Peer reviewed: yes
First author: Venkataraman
Co-authors: C. Venkataraman; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Photoinduced homogeneous proton-coupled electron transfer: Model study of isotope effects on reaction dynamics
year cv	2009
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.3249964
first author cv	Venkataraman

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.3249964

Match decisions

No decision recorded; a single record.

2009 Properties of the exact universal functional in multicomponent density functional theory The Journal of Chemical Physics article journal CV OA GS

CV span

lines 793–794 · CV · published

793118. A. Chakraborty, M. V. Pak, and S. Hammes-Schiffer, ·Properties of the exact universal794functional in multicomponent density functional theory,· J. Chem. Phys. 131, 124115 (2009).

Institution fields

Peer reviewed: yes
First author: Chakraborty
Co-authors: A. Chakraborty; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Properties of the exact universal functional in multicomponent density functional theory	Properties of the exact universal functional in multicomponent density functional theory
year cv	2009	2009
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.3236844
first author cv	Chakraborty	Chakraborty

Citations

OpenAlex: none
Scholar: 71
DOI: 10.1063/1.3236844

Match decisions

fingerprint merged · 1.00 · Run 18

2009 Selected Theoretical Models and Computational Methods for Enzymatic Tunnelling Quantum Tunnelling in Enzyme-Catalysed Reactions chapter CV OA GS

CV span

lines 768–770 · CV · published

768109. S. Hammes-Schiffer, ·Selected Theoretical Models and Computational Methods for Enzymatic769Tunnelling,· pp. 79-104 in Quantum Tunnelling in Enzyme-Catalysed Reactions, eds. R. K.770Allemann and N. S. Scrutton (Royal Society of Chemistry, Cambridge, 2009).

Institution fields

Peer reviewed: none
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: Royal Society of Chemistry
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Selected Theoretical Models and Computational Methods for Enzymatic Tunnelling
year cv	2009
venue crossref	Quantum Tunnelling in Enzyme-Catalysed Reactions
kind cv	chapter
DOI crossref	10.1039/9781847559975-00079
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1039/9781847559975-00079

Match decisions

No decision recorded; a single record.

2009 Theoretical analysis of the unusual temperature dependence of the kinetic isotope effect in quinol oxidation Journal of the American Chemical Society article journal CV OA GS

CV span

lines 784–786 · CV · published

784114. M. K. Ludlow, A. V. Soudackov, and S. Hammes-Schiffer, ·Theoretical analysis of the785unusual temperature dependence of the kinetic isotope effect in quinol oxidation,· J. Am.786Chem. Soc. 131, 7094-7102 (2009).

Institution fields

Peer reviewed: yes
First author: Ludlow
Co-authors: M. K. Ludlow; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical analysis of the unusual temperature dependence of the kinetic isotope effect in quinol oxidation	Theoretical analysis of the unusual temperature dependence of the kinetic isotope effect in quinol oxidation
year cv	2009	2009
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja9001184
first author cv	Ludlow	Ludlow

Citations

OpenAlex: none
Scholar: 56
DOI: 10.1021/ja9001184

Match decisions

fingerprint merged · 1.00 · Run 18

2009 Theory of proton-coupled electron transfer in energy conversion processes Accounts of Chemical Research article journal CV OA GS

CV span

lines 789–790 · CV · published

789116. S. Hammes-Schiffer, ·Theory of proton-coupled electron transfer in energy conversion790processes,· Acc. Chem. Res. 42, 1881-1889 (2009).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theory of proton-coupled electron transfer in energy conversion processes	Theory of proton-coupled electron transfer in energy conversion processes
year cv	2009	2009
venue crossref	Acc. Chem. Res.	Accounts of chemical research	Accounts of Chemical Research
kind cv	article	other
DOI crossref	10.1021/ar9001284
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 463
DOI: 10.1021/ar9001284

Match decisions

fingerprint merged · 1.00 · Run 18

2008 Density matrix formulation of the nuclear-electronic orbital approach with explicit electron-proton correlation The Journal of Chemical Physics article journal CV OA GS

CV span

lines 765–767 · CV · published

765108. A. Chakraborty and S. Hammes-Schiffer, ·Density matrix formulation of the766nuclear-electronic orbital approach with explicit electron-proton correlation,· J. Chem.767Phys. 129, 204101 (2008).

Institution fields

Peer reviewed: yes
First author: Chakraborty
Co-authors: A. Chakraborty; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Density matrix formulation of the nuclear-electronic orbital approach with explicit electron-proton correlation
year cv	2008
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.2998312
first author cv	Chakraborty

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.2998312

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records refer to the 2008 J. Chem. Phys. article on inclusion of explicit electron-proton correlation.

2008 Development of electron-proton density functionals for multicomponent density functional theory Physical Review Letters article journal CV OA GS

CV span

lines 756–758 · CV · published

756105. A. Chakraborty, M. V. Pak, and S. Hammes-Schiffer, ·Development of electron-proton757density functionals for multicomponent density functional theory,· Phys. Rev. Lett. 101,758153001 (2008). Erratum: Phys. Rev. Lett. 106, 169902 (2011).

Institution fields

Peer reviewed: yes
First author: Chakraborty
Co-authors: A. Chakraborty; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Development of electron-proton density functionals for multicomponent density functional theory	Development of electron-proton density functionals for multicomponent density functional theory
year cv	2008	2008
venue crossref	Phys. Rev. Lett.	Physical review letters	Physical Review Letters
kind cv	article	other
DOI crossref	10.1103/physrevlett.101.153001
first author cv	Chakraborty	Chakraborty

Citations

OpenAlex: none
Scholar: 156
DOI: 10.1103/physrevlett.101.153001

Match decisions

fingerprint merged · 1.00 · Run 18

2008 Free energy landscape of enzyme catalysis Biochemistry article journal CV OA GS

CV span

lines 744–745 · CV · published

744101. S. J. Benkovic, G. G. Hammes, and S. Hammes-Schiffer, ·Free energy landscape of enzyme745catalysis,· Biochemistry 47, 3317-3321 (2008).

Institution fields

Peer reviewed: yes
First author: Benkovic
Co-authors: S. J. Benkovic; G. G. Hammes; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Free energy landscape of enzyme catalysis	Free-energy landscape of enzyme catalysis
year cv	2008	2008
venue crossref	Biochemistry	Biochemistry
kind cv	article	other
DOI crossref	10.1021/bi800049z
first author cv	Benkovic	Benkovic

Citations

OpenAlex: none
Scholar: 348
DOI: 10.1021/bi800049z

Match decisions

fingerprint merged · 1.00 · Run 18

2008 Implementation of umbrella integration within the framework of the empirical valence bond approach Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 762–764 · CV · published

762107. D. K. Chakravorty, M. Kumarasiri, A. V. Soudackov, and S. Hammes-Schiffer,763·Implementation of umbrella integration within the framework of the empirical valence bond764approach,· J. Chem. Theory and Comput. 4, 1974-1980 (2008).

Institution fields

Peer reviewed: yes
First author: Chakravorty
Co-authors: D. K. Chakravorty; M. Kumarasiri; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Implementation of umbrella integration within the framework of the empirical valence bond approach
year cv	2008
venue crossref	J. Chem. Theory and Comput.	Journal of Chemical Theory and Computation
kind cv	article
DOI crossref	10.1021/ct8003386
first author cv	Chakravorty

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/ct8003386

Match decisions

No decision recorded; a single record.

2008 Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 749–752 · CV · published

749103. A. Chakraborty, M. V. Pak, and S. Hammes-Schiffer, ·Inclusion of explicit750electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type751geminal functions,· J. Chem. Phys. 129, 014101 (2008). Erratum: J. Chem. Phys. 134, 079902752(2011).

Institution fields

Peer reviewed: yes
First author: Chakraborty
Co-authors: A. Chakraborty; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions	Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions
year cv	2008	2008
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.2943144
first author cv	Chakraborty	Chakraborty

Citations

OpenAlex: none
Scholar: 93
DOI: 10.1063/1.2943144

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records refer to the 2008 J. Chem. Phys. article on inclusion of explicit electron-proton correlation.

2008 Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 741–743 · CV · published

741100. P. E. Adamson, X. F. Duan, L. W. Burggraf, M. V. Pak, C. Swalina, and S.742Hammes-Schiffer, ·Modeling positrons in molecular electronic structure calculations with the743nuclear-electronic orbital method,· J. Phys. Chem. A 112, 1346-1351 (2008).

Institution fields

Peer reviewed: yes
First author: Adamson
Co-authors: P. E. Adamson; X. F. Duan; L. W. Burggraf; M. V. Pak; C. Swalina; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method	Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method
year cv	2008	2008
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI crossref	10.1021/jp7098015
first author cv	Adamson	Adamson

Citations

OpenAlex: none
Scholar: 54
DOI: 10.1021/jp7098015

Match decisions

fingerprint merged · 1.00 · Run 18

2008 Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces The Journal of Chemical Physics article journal CV OA GS

CV span

lines 753–755 · CV · published

753104. I. Navrotskaya, A. V. Soudackov, and S. Hammes-Schiffer, ·Model system-bath Hamiltonian754and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution755interfaces,· J. Chem. Phys. 128, 244712 (2008).

Institution fields

Peer reviewed: yes
First author: Navrotskaya
Co-authors: I. Navrotskaya; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces	Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces
year cv	2008	2008
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.2940203
first author cv	Navrotskaya	Navrotskaya

Citations

OpenAlex: none
Scholar: 55
DOI: 10.1063/1.2940203

Match decisions

fingerprint merged · 1.00 · Run 18

2008 Proton-coupled electron transfer in solution, proteins, and electrochemistry The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 759–761 · CV · published

759106. S. Hammes-Schiffer and A. V. Soudackov, ·Proton-coupled electron transfer in solution,760proteins, and electrochemistry,· J. Phys. Chem. B 112, 14108-14123 (2008) (Centennial Feature761Article).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; A. V. Soudackov
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer in solution, proteins, and electrochemistry	Proton-coupled electron transfer in solution, proteins, and electrochemistry
year cv	2008	2008
venue crossref	J. Phys. Chem. B	The journal of physical chemistry. B	The Journal of Physical Chemistry B
kind cv	article	other
DOI crossref	10.1021/jp805876e
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 536
DOI: 10.1021/jp805876e

Match decisions

fingerprint merged · 1.00 · Run 18

2008 Substituent effects on the vibronic coupling for the phenoxyl/phenol self-exchange reaction The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 735–737 · CV · published

73598. M. K. Ludlow, J. H. Skone, and S. Hammes-Schiffer, ·Substituent effects on the vibronic736coupling for the phenoxyl/phenol self-exchange reaction,· J. Phys. Chem. B 112, 336-343737(2008).

Institution fields

Peer reviewed: yes
First author: Ludlow
Co-authors: M. K. Ludlow; J. H. Skone; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Substituent effects on the vibronic coupling for the phenoxyl/phenol self-exchange reaction
year cv	2008
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp0753474
first author cv	Ludlow

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp0753474

Match decisions

No decision recorded; a single record.

2008 Theoretical formulation of nonadiabatic electrochemical proton-coupled electron transfer at metal-solution interfaces The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 746–748 · CV · published

746102. C. Venkataraman, A. V. Soudackov, and S. Hammes-Schiffer, ·Theoretical formulation of747nonadiabatic electrochemical proton-coupled electron transfer at metal-solution interfaces,·748J. Phys. Chem. C 112, 12386-12397 (2008).

Institution fields

Peer reviewed: yes
First author: Venkataraman
Co-authors: C. Venkataraman; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical formulation of nonadiabatic electrochemical proton-coupled electron transfer at metal-solution interfaces	Theoretical formulation of nonadiabatic electrochemical proton-coupled electron transfer at metal− solution interfaces
year cv	2008	2008
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C	The Journal of Physical Chemistry C
kind cv	article	other
DOI crossref	10.1021/jp802171y
first author cv	Venkataraman	Venkataraman

Citations

OpenAlex: none
Scholar: 92
DOI: 10.1021/jp802171y

Match decisions

fingerprint merged · 1.00 · Run 18

2008 Theoretical studies of proton-coupled electron transfer: Models and concepts relevant to bioenergetics Coord. Chem. Rev. article journal CV OA GS

CV span

lines 738–740 · CV · published

73899. S. Hammes-Schiffer, E. Hatcher, H. Ishikita, J. H. Skone, and A. V. Soudackov,739·Theoretical studies of proton-coupled electron transfer: Models and concepts relevant to740bioenergetics,· Coord. Chem. Rev. 252, 384-394 (2008).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; E. Hatcher; H. Ishikita; J. H. Skone; A. V. Soudackov
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Theoretical studies of proton-coupled electron transfer: Models and concepts relevant to bioenergetics	Theoretical studies of proton-coupled electron transfer: models and concepts relevant to bioenergetics
year cv	2008	2008
venue cv	Coord. Chem. Rev.	Coordination chemistry reviews
kind cv	article	other
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 111

Match decisions

fingerprint merged · 1.00 · Run 18

2007 Analysis of nuclear quantum effects on hydrogen bonding The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 727–728 · CV · published

72795. C. Swalina, Q. Wang, A. Chakraborty, and S. Hammes-Schiffer, ·Analysis of nuclear quantum728effects on hydrogen bonding,· J. Phys. Chem. A 111, 2206-2212 (2007).

Institution fields

Peer reviewed: yes
First author: Swalina
Co-authors: C. Swalina; Q. Wang; A. Chakraborty; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Analysis of nuclear quantum effects on hydrogen bonding	Analysis of nuclear quantum effects on hydrogen bonding
year cv	2007	2007
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI crossref	10.1021/jp0682661
first author cv	Swalina	Swalina

Citations

OpenAlex: none
Scholar: 49
DOI: 10.1021/jp0682661

Match decisions

fingerprint merged · 1.00 · Run 18

2007 Anharmonic effects in ammonium nitrate and hydroxylammonium nitrate clusters The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 725–726 · CV · published

72594. M. Kumarasiri, C. Swalina, and S. Hammes-Schiffer, ·Anharmonic effects in ammonium726nitrate and hydroxylammonium nitrate clusters,· J. Phys. Chem. B 111, 4653-4658 (2007).

Institution fields

Peer reviewed: yes
First author: Kumarasiri
Co-authors: M. Kumarasiri; C. Swalina; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Anharmonic effects in ammonium nitrate and hydroxylammonium nitrate clusters
year cv	2007
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp065569m
first author cv	Kumarasiri

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp065569m

Match decisions

No decision recorded; a single record.

2007 Buffer-assisted proton-coupled electron transfer in a model rhenium-tyrosine complex Journal of the American Chemical Society article journal CV OA GS

CV span

lines 732–734 · CV · published

73297. H. Ishikita, A. V. Soudackov, and S. Hammes-Schiffer, ·Buffer-assisted proton-coupled733electron transfer in a model rhenium-tyrosine complex,· J. Am. Chem. Soc. 129, 11146-11152734(2007).

Institution fields

Peer reviewed: yes
First author: Ishikita
Co-authors: H. Ishikita; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Buffer-assisted proton-coupled electron transfer in a model rhenium-tyrosine complex	Buffer-assisted proton-coupled electron transfer in a model rhenium− tyrosine complex
year cv	2007	2007
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja072708k
first author cv	Ishikita	Ishikita

Citations

OpenAlex: none
Scholar: 80
DOI: 10.1021/ja072708k

Match decisions

fingerprint merged · 1.00 · Run 18

2007 Density functional theory treatment of electron correlation in the nuclear-electronic orbital approach The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 729–731 · CV · published

72996. M. V. Pak, A. Chakraborty, and S. Hammes-Schiffer, ·Density functional theory treatment730of electron correlation in the nuclear-electronic orbital approach,· J. Phys. Chem. A 111,7314522-4526 (2007).

Institution fields

Peer reviewed: yes
First author: Pak
Co-authors: M. V. Pak; A. Chakraborty; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Density functional theory treatment of electron correlation in the nuclear-electronic orbital approach	Density functional theory treatment of electron correlation in the nuclear− electronic orbital approach
year cv	2007	2007
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI crossref	10.1021/jp0704463
first author cv	Pak	Pak

Citations

OpenAlex: none
Scholar: 133
DOI: 10.1021/jp0704463

Match decisions

fingerprint merged · 1.00 · Run 18

2007 Dihydrofolate reductase: Hydrogen tunneling and protein motion Handbook of Hydrogen Transfer. Volume 4: Biological Aspects of Hydrogen Transfer chapter CV OA GS

CV span

lines 718–721 · CV · published

71892. S. J. Benkovic and S. Hammes-Schiffer, ·Dihydrofolate reductase: Hydrogen tunneling and719protein motion,· pp. 1439-1454 in Handbook of Hydrogen Transfer. Volume 4: Biological Aspects720of Hydrogen Transfer, eds. J. T. Hynes, J. P. Klinman, H.-H. Limbach and R. L. Schowen721(Wiley-VCH, Weinheim, 2007).

Institution fields

Peer reviewed: none
First author: Benkovic
Co-authors: S. J. Benkovic; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: Wiley-VCH
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Dihydrofolate reductase: Hydrogen tunneling and protein motion
year cv	2007
venue cv	Handbook of Hydrogen Transfer. Volume 4: Biological Aspects of Hydrogen Transfer
kind cv	chapter
first author cv	Benkovic

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2007 Proton-coupled electron transfer in soybean lipoxygenase: Dynamical behavior and temperature dependence of kinetic isotope effects Journal of the American Chemical Society article journal CV OA GS

CV span

lines 722–724 · CV · published

72293. E. Hatcher, A. V. Soudackov, and S. Hammes-Schiffer, ·Proton-coupled electron transfer in723soybean lipoxygenase: Dynamical behavior and temperature dependence of kinetic isotope724effects,· J. Am. Chem. Soc. 129, 187-196 (2007).

Institution fields

Peer reviewed: yes
First author: Hatcher
Co-authors: E. Hatcher; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer in soybean lipoxygenase: Dynamical behavior and temperature dependence of kinetic isotope effects	Proton-coupled electron transfer in soybean lipoxygenase: Dynamical behavior and temperature dependence of kinetic isotope effects
year cv	2007	2007
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja0667211
first author cv	Hatcher	Hatcher

Citations

OpenAlex: none
Scholar: 199
DOI: 10.1021/ja0667211

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records correspond to the 2007 JACS follow-up paper on dynamical behavior and kinetic isotope effects in soybean lipoxygenase.

2007 Proton-coupled electron transfer reactions: Theoretical formulation and applications Handbook of Hydrogen Transfer. Volume 2: Physical and Chemical Aspects of Hydrogen Transfer chapter CV OA GS

CV span

lines 714–717 · CV · published

71491. S. Hammes-Schiffer, ·Proton-coupled electron transfer reactions: Theoretical formulation715and applications,· pp. 479-502 in Handbook of Hydrogen Transfer. Volume 2: Physical and716Chemical Aspects of Hydrogen Transfer, eds. J. T. Hynes, J. P. Klinman, H.-H. Limbach and R.717L. Schowen (Wiley-VCH, Weinheim, 2007).

Institution fields

Peer reviewed: none
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: Wiley-VCH
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Proton-coupled electron transfer reactions: Theoretical formulation and applications
year cv	2007
venue cv	Handbook of Hydrogen Transfer. Volume 2: Physical and Chemical Aspects of Hydrogen Transfer
kind cv	chapter
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2006 Calculation of the transition state theory rate constant for a general reaction coordinate: Application to hydride transfer in an enzyme Chemical Physics Letters article journal CV OA GS

CV span

lines 684–686 · CV · published

68478. J. B. Watney, A. V. Soudackov, K. F. Wong, and S. Hammes-Schiffer, ·Calculation of the685transition state theory rate constant for a general reaction coordinate: Application to686hydride transfer in an enzyme,· Chem. Phys. Lett. 418, 268-271 (2006).

Institution fields

Peer reviewed: yes
First author: Watney
Co-authors: J. B. Watney; A. V. Soudackov; K. F. Wong; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Calculation of the transition state theory rate constant for a general reaction coordinate: Application to hydride transfer in an enzyme
year cv	2006
venue crossref	Chem. Phys. Lett.	Chemical Physics Letters
kind cv	article
DOI crossref	10.1016/j.cplett.2005.10.129
first author cv	Watney

Citations

OpenAlex: none
Scholar: none
DOI: 10.1016/j.cplett.2005.10.129

Match decisions

No decision recorded; a single record.

2006 Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: Implications for proton-coupled electron transfer mechanisms Journal of the American Chemical Society article journal CV OA GS

CV span

lines 711–713 · CV · published

71190. J. H. Skone, A. V. Soudackov, and S. Hammes-Schiffer, ·Calculation of vibronic couplings712for phenoxyl/phenol and benzyl/toluene self-exchange reactions: Implications for713proton-coupled electron transfer mechanisms,· J. Am. Chem. Soc. 128, 16655-16663 (2006).

Institution fields

Peer reviewed: yes
First author: Skone
Co-authors: J. H. Skone; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: Implications for proton-coupled electron transfer mechanisms	Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: Implications for proton-coupled electron transfer mechanisms
year cv	2006	2006
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja0656548
first author cv	Skone	Skone

Citations

OpenAlex: none
Scholar: 187
DOI: 10.1021/ja0656548

Match decisions

fingerprint merged · 1.00 · Run 18

2006 Comparison of coupled motions in Escherichia coli and Bacillus subtilis dihydrofolate reductase The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 695–696 · CV · published

69583. J. B. Watney and S. Hammes-Schiffer, ·Comparison of coupled motions in Escherichia coli696and Bacillus subtilis dihydrofolate reductase,· J. Phys. Chem. B 110, 10130-10138 (2006).

Institution fields

Peer reviewed: yes
First author: Watney
Co-authors: J. B. Watney; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Comparison of coupled motions in Escherichia coli and Bacillus subtilis dihydrofolate reductase
year cv	2006
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp0605956
first author cv	Watney

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp0605956

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar entries refer to the same Philosophical Transactions B paper from 2006 on dihydrofolate reductase.

2006 Enzyme motions inside and out Science article journal CV OA GS

CV span

lines 693–694 · CV · published

69382. S. J. Benkovic and S. Hammes-Schiffer, ·Enzyme motions inside and out,· Science 312,694208-209 (2006).

Institution fields

Peer reviewed: yes
First author: Benkovic
Co-authors: S. J. Benkovic; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Enzyme motions inside and out	Enzyme motions inside and out
year cv	2006	2006
venue crossref	Science	Science
kind cv	article	other
DOI crossref	10.1126/science.1127654
first author cv	Benkovic	Benkovic

Citations

OpenAlex: none
Scholar: 118
DOI: 10.1126/science.1127654

Match decisions

fingerprint merged · 1.00 · Run 18

2006 Explicit electron-proton correlation in the nuclear-electronic orbital framework The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 702–704 · CV · published

70286. C. Swalina, M. V. Pak, A. Chakraborty, and S. Hammes-Schiffer, ·Explicit electron-proton703correlation in the nuclear-electronic orbital framework,· J. Phys. Chem. A 110, 9983-9987704(2006).

Institution fields

Peer reviewed: yes
First author: Swalina
Co-authors: C. Swalina; M. V. Pak; A. Chakraborty; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Explicit electron-proton correlation in the nuclear-electronic orbital framework	Explicit dynamical electron− proton correlation in the nuclear− electronic orbital framework
year cv	2006	2006
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI crossref	10.1021/jp0634297
first author cv	Swalina	Swalina

Citations

OpenAlex: none
Scholar: 126
DOI: 10.1021/jp0634297

Match decisions

fingerprint merged · 1.00 · Run 18

2006 Extended spin-boson model for nonadiabatic hydrogen tunneling in the condensed phase The Journal of Chemical Physics article journal CV OA GS

CV span

lines 707–708 · CV · published

70788. Y. Ohta, A. V. Soudackov, and S. Hammes-Schiffer, ·Extended spin-boson model for708nonadiabatic hydrogen tunneling in the condensed phase,· J. Chem. Phys. 125, 144522 (2006).

Institution fields

Peer reviewed: yes
First author: Ohta
Co-authors: Y. Ohta; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Extended spin-boson model for nonadiabatic hydrogen tunneling in the condensed phase
year cv	2006
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.2354500
first author cv	Ohta

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.2354500

Match decisions

No decision recorded; a single record.

2006 Freezing a single distal motion in dihydrofolate reductase The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 689–690 · CV · published

68980. A. Sergi, J. B. Watney, K. F. Wong, and S. Hammes-Schiffer, ·Freezing a single distal690motion in dihydrofolate reductase,· J. Phys. Chem. B 110, 2435-2441 (2006).

Institution fields

Peer reviewed: yes
First author: Sergi
Co-authors: A. Sergi; J. B. Watney; K. F. Wong; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Freezing a single distal motion in dihydrofolate reductase
year cv	2006
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp056939u
first author cv	Sergi

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp056939u

Match decisions

No decision recorded; a single record.

2006 Hybrid quantum/classical molecular dynamics for a proton transfer reaction coupled to a dissipative bath The Journal of Chemical Physics article journal CV OA GS

CV span

lines 700–701 · CV · published

70085. S. Y. Kim and S. Hammes-Schiffer, ·Hybrid quantum/classical molecular dynamics for a701proton transfer reaction coupled to a dissipative bath,· J. Chem. Phys. 124, 244102 (2006).

Institution fields

Peer reviewed: yes
First author: Kim
Co-authors: S. Y. Kim; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Hybrid quantum/classical molecular dynamics for a proton transfer reaction coupled to a dissipative bath	Hybrid quantum/classical molecular dynamics for a proton transfer reaction coupled to a dissipative bath
year cv	2006	2006
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.2206175
first author cv	Kim	Kim

Citations

OpenAlex: none
Scholar: 55
DOI: 10.1063/1.2206175

Match decisions

fingerprint merged · 1.00 · Run 18

2006 Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes The Journal of Chemical Physics article journal CV OA GS

CV span

lines 709–710 · CV · published

70989. Q. Wang and S. Hammes-Schiffer, ·Hybrid quantum/classical path integral approach for710simulation of hydrogen transfer reactions in enzymes,· J. Chem. Phys. 125, 184102 (2006).

Institution fields

Peer reviewed: yes
First author: Wang
Co-authors: Q. Wang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes	Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes
year cv	2006	2006
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.2362823
first author cv	Wang	Wang

Citations

OpenAlex: none
Scholar: 55
DOI: 10.1063/1.2362823

Match decisions

fingerprint merged · 1.00 · Run 18

2006 Hydride transfer catalyzed by Escherichia coli and Bacillus subtilis dihydrofolate reductase: Coupled motions and distal mutations Philosophical Transactions of the Royal Society B: Biological Sciences article journal CV OA GS

CV span

lines 697–699 · CV · published

69784. S. Hammes-Schiffer and J. B. Watney, ·Hydride transfer catalyzed by Escherichia coli and698Bacillus subtilis dihydrofolate reductase: Coupled motions and distal mutations,· Phil.699Trans. R. Soc. B 361, 1365-1373 (2006).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; J. B. Watney
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Hydride transfer catalyzed by Escherichia coli and Bacillus subtilis dihydrofolate reductase: Coupled motions and distal mutations	Hydride transfer catalysed by Escherichia coli and Bacillus subtilis dihydrofolate reductase: coupled motions and distal mutations
year cv	2006	2006
venue crossref	Phil. Trans. R. Soc. B	Philosophical Transactions of the Royal Society B: Biological Sciences	Philosophical Transactions of the Royal Society B: Biological Sciences
kind cv	article	other
DOI crossref	10.1098/rstb.2006.1869
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 49
DOI: 10.1098/rstb.2006.1869

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar entries refer to the same Philosophical Transactions B paper from 2006 on dihydrofolate reductase.

2006 Hydrogen bonding pathways in human dihydroorotate dehydrogenase The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 705–706 · CV · published

70587. Y. A. Small, V. Guallar, A. V. Soudackov, and S. Hammes-Schiffer, ·Hydrogen bonding706pathways in human dihydroorotate dehydrogenase,· J. Phys. Chem. B 110, 19704-19710 (2006).

Institution fields

Peer reviewed: yes
First author: Small
Co-authors: Y. A. Small; V. Guallar; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Hydrogen bonding pathways in human dihydroorotate dehydrogenase
year cv	2006
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp065034t
first author cv	Small

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp065034t

Match decisions

No decision recorded; a single record.

2006 Hydrogen tunneling and protein motion in enzyme reactions Accounts of Chemical Research article journal CV OA GS

CV span

lines 687–688 · CV · published

68779. S. Hammes-Schiffer, ·Hydrogen tunneling and protein motion in enzyme reactions,· Acc.688Chem. Res. 39, 93-100 (2006).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Hydrogen tunneling and protein motion in enzyme reactions	Hydrogen tunneling and protein motion in enzyme reactions
year cv	2006	2006
venue crossref	Acc. Chem. Res.	Accounts of chemical research	Accounts of Chemical Research
kind cv	article	other
DOI crossref	10.1021/ar040199a
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 325
DOI: 10.1021/ar040199a

Match decisions

fingerprint merged · 1.00 · Run 18

2006 Relating protein motion to catalysis Annual Review of Biochemistry article journal CV OA GS

CV span

lines 691–692 · CV · published

69181. S. Hammes-Schiffer and S. J. Benkovic, ·Relating protein motion to catalysis,· Annu. Rev.692Biochem.75, 519-541 (2006).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; S. J. Benkovic
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Relating protein motion to catalysis	Relating protein motion to catalysis
year cv	2006	2006
venue crossref	Annu. Rev. Biochem.	Annu. Rev. Biochem.	Annual Review of Biochemistry
kind cv	article	other
DOI crossref	10.1146/annurev.biochem.75.103004.142800
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 783
DOI: 10.1146/annurev.biochem.75.103004.142800

Match decisions

fingerprint merged · 1.00 · Run 18

2005 (2005) article CV OA GS needs review

CV span

lines 680–680 · CV · unverified · published

680(2005).

Institution fields

Peer reviewed: yes
First author: none
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	(2005)
year cv	2005
kind cv	article
first author cv	.

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2005 Alternative formulation of many-body perturbation theory for electron-proton correlation Chemical Physics Letters article journal CV OA GS

CV span

lines 663–664 · CV · published

66370. C. Swalina, M. V. Pak, and S. Hammes-Schiffer, ·Alternative formulation of many-body664perturbation theory for electron-proton correlation,· Chem. Phys. Lett. 404, 394-399 (2005).

Institution fields

Peer reviewed: yes
First author: Swalina
Co-authors: C. Swalina; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Alternative formulation of many-body perturbation theory for electron-proton correlation	Alternative formulation of many-body perturbation theory for electron–proton correlation
year cv	2005	2005
venue crossref	Chem. Phys. Lett.	Chemical Physics Letters	Chemical Physics Letters
kind cv	article	other
DOI crossref	10.1016/j.cplett.2005.01.115
first author cv	Swalina	Swalina

Citations

OpenAlex: none
Scholar: 107
DOI: 10.1016/j.cplett.2005.01.115

Match decisions

fingerprint merged · 1.00 · Run 18

2005 Analysis of the nuclear-electronic orbital method for model hydrogen transfer systems The Journal of Chemical Physics article journal CV OA GS

CV span

lines 668–669 · CV · published

66872. C. Swalina, M. V. Pak, and S. Hammes-Schiffer, ·Analysis of the nuclear-electronic669orbital method for model hydrogen transfer systems,· J. Chem. Phys. 123, 014303 (2005).

Institution fields

Peer reviewed: yes
First author: Swalina
Co-authors: C. Swalina; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Analysis of the nuclear-electronic orbital method for model hydrogen transfer systems
year cv	2005
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.1940634
first author cv	Swalina

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.1940634

Match decisions

No decision recorded; a single record.

2005 Comparison of dynamical aspects of nonadiabatic electron, proton, and proton-coupled electron transfer reactions Chemical Physics article journal CV OA GS

CV span

lines 681–683 · CV · published

68177. E. Hatcher, A. Soudackov, and S. Hammes-Schiffer, ·Comparison of dynamical aspects of682nonadiabatic electron, proton, and proton-coupled electron transfer reactions,· Chem. Phys.683319, 93-100 (2005).

Institution fields

Peer reviewed: yes
First author: Hatcher
Co-authors: E. Hatcher; A. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Comparison of dynamical aspects of nonadiabatic electron, proton, and proton-coupled electron transfer reactions
year cv	2005
venue crossref	Chem. Phys.	Chemical Physics
kind cv	article
DOI crossref	10.1016/j.chemphys.2005.05.043
first author cv	Hatcher

Citations

OpenAlex: none
Scholar: none
DOI: 10.1016/j.chemphys.2005.05.043

Match decisions

gemini merged · 0.95 · Run 18 Both records match the 2005 J. Phys. Chem. B paper on nonadiabatic proton-coupled electron transfer reactions and dynamics.

2005 Impact of distal mutations on the network of coupled motions correlated to hydride transfer in dihydrofolate reductase Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 665–667 · CV · published

66571. K. F. Wong, T. Selzer, S. J. Benkovic, and S. Hammes-Schiffer, ·Impact of distal666mutations on the network of coupled motions correlated to hydride transfer in dihydrofolate667reductase,· Proc. Nat. Acad. Sci. USA 102, 6807-6812 (2005).

Institution fields

Peer reviewed: yes
First author: Wong
Co-authors: K. F. Wong; T. Selzer; S. J. Benkovic; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Impact of distal mutations on the network of coupled motions correlated to hydride transfer in dihydrofolate reductase	Impact of distal mutations on the network of coupled motions correlated to hydride transfer in dihydrofolate reductase
year cv	2005	2005
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	other
DOI crossref	10.1073/pnas.0408343102
first author cv	Wong	Wong

Citations

OpenAlex: none
Scholar: 191
DOI: 10.1073/pnas.0408343102

Match decisions

fingerprint merged · 1.00 · Run 18

2005 Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer J. Phys. Chem. A article journal CV OA GS needs review

CV span

lines 678–679 · CV · unverified · published

67876. C. Swalina and S. Hammes-Schiffer, ·Impact of nuclear quantum effects on the molecular679structure of bihalides and the hydrogen fluoride dimer,· J. Phys. Chem. A 109, 10410-10417

Institution fields

Peer reviewed: yes
First author: Swalina
Co-authors: C. Swalina; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title scholar	Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer	Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer
year scholar		2005
venue cv	J. Phys. Chem. A	The Journal of Physical Chemistry A
kind cv	article	other
first author cv	Swalina	Swalina

Citations

OpenAlex: none
Scholar: 61

Match decisions

fingerprint merged · 1.00 · Run 18

2005 Investigation of isotope effects with the nuclear-electronic orbital approach The Journal of Chemical Physics article journal CV OA GS

CV span

lines 670–671 · CV · published

67073. A. Reyes, M. V. Pak, and S. Hammes-Schiffer, ·Investigation of isotope effects with the671nuclear-electronic orbital approach,· J. Chem. Phys. 123, 064104 (2005).

Institution fields

Peer reviewed: yes
First author: Reyes
Co-authors: A. Reyes; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Investigation of isotope effects with the nuclear-electronic orbital approach	Investigation of isotope effects with the nuclear-electronic orbital approach
year cv	2005	2005
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.1990116
first author cv	Reyes	Reyes

Citations

OpenAlex: none
Scholar: 84
DOI: 10.1063/1.1990116

Match decisions

fingerprint merged · 1.00 · Run 18

2005 Kinetic isotope effects for proton-coupled electron transfer reactions Isotope Effects In Chemistry and Biology chapter CV OA GS

CV span

lines 657–659 · CV · published

65768. S. Hammes-Schiffer, ·Kinetic isotope effects for proton-coupled electron transfer658reactions,· pp. 499-519 in Isotope Effects in Chemistry and Biology, eds. H. Limbach and A.659Kohen (CRC Press, Taylor & Francis Group, LLC, Boca Raton, 2005).

Institution fields

Peer reviewed: no
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: CRC Press, Taylor & Francis Group, LLC
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Kinetic isotope effects for proton-coupled electron transfer reactions
year cv	2005
venue crossref	Isotope Effects in Chemistry and Biology	Isotope Effects In Chemistry and Biology
kind cv	chapter
DOI crossref	10.1201/9781420028027.ch19
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1201/9781420028027.ch19

Match decisions

gemini merged · 0.95 · Run 18 Both records match the 2005 J. Phys. Chem. B paper on nonadiabatic proton-coupled electron transfer reactions and dynamics.

2005 Nonadiabatic proton-coupled electron transfer reactions: Impact of donor-acceptor vibrations, reorganization energies, and couplings on dynamics and rates The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 672–674 · CV · published

67274. E. Hatcher, A. Soudackov, and S. Hammes-Schiffer, ·Nonadiabatic proton-coupled electron673transfer reactions: Impact of donor-acceptor vibrations, reorganization energies, and674couplings on dynamics and rates,· J. Phys. Chem. B 109, 18565-18574 (2005).

Institution fields

Peer reviewed: yes
First author: Hatcher
Co-authors: E. Hatcher; A. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nonadiabatic proton-coupled electron transfer reactions: Impact of donor-acceptor vibrations, reorganization energies, and couplings on dynamics and rates	Nonadiabatic Proton-Coupled Electron Transfer Reactions: Impact of Donor− Acceptor Vibrations, Reorganization Energies, and Couplings on Dynamics and Rates
year cv	2005	2005
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	other
DOI crossref	10.1021/jp052909f
first author cv	Hatcher	Hatcher

Citations

OpenAlex: none
Scholar: 50
DOI: 10.1021/jp052909f

Match decisions

gemini merged · 0.95 · Run 18 Both records match the 2005 J. Phys. Chem. B paper on nonadiabatic proton-coupled electron transfer reactions and dynamics.

2005 Nuclear-electronic orbital nonorthogonal configuration interaction approach The Journal of Chemical Physics article journal CV OA GS

CV span

lines 675–677 · CV · published

67575. J. H. Skone, M. V. Pak, and S. Hammes-Schiffer, ·Nuclear-electronic orbital nonorthogonal676configuration interaction approach,· J. Chem. Phys. 123, 134108 (2005). Erratum: J. Chem.677Phys. 128, 229903 (2008).

Institution fields

Peer reviewed: yes
First author: Skone
Co-authors: J. H. Skone; M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nuclear-electronic orbital nonorthogonal configuration interaction approach	Nuclear-electronic orbital nonorthogonal configuration interaction approach
year cv	2005	2005
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.2039727
first author cv	Skone	Skone

Citations

OpenAlex: none
Scholar: 77
DOI: 10.1063/1.2039727

Match decisions

fingerprint merged · 1.00 · Run 18

2005 Quantum and dynamical effects of proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer reactions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 660–662 · CV · published

66069. A. Soudackov, E. Hatcher, and S. Hammes-Schiffer, ·Quantum and dynamical effects of661proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer662reactions,· J. Chem. Phys. 122, 014505 (2005).

Institution fields

Peer reviewed: yes
First author: Soudackov
Co-authors: A. Soudackov; E. Hatcher; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Quantum and dynamical effects of proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer reactions	Quantum and dynamical effects of proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer reactions
year cv	2005	2005
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.1814635
first author cv	Soudackov	Soudackov

Citations

OpenAlex: none
Scholar: 170
DOI: 10.1063/1.1814635

Match decisions

gemini merged · 0.95 · Run 18 Both records match the 2005 J. Phys. Chem. B paper on nonadiabatic proton-coupled electron transfer reactions and dynamics.

2004 Analysis of electrostatics and correlated motions for hydride transfer in dihydrofolate reductase The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 654–656 · CV · published

65467. K. F. Wong, J. B. Watney, and S. Hammes-Schiffer, ·Analysis of electrostatics and655correlated motions for hydride transfer in dihydrofolate reductase,· J. Phys. Chem. B 108,65612231-12241 (2004).

Institution fields

Peer reviewed: yes
First author: Wong
Co-authors: K. F. Wong; J. B. Watney; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Analysis of electrostatics and correlated motions for hydride transfer in dihydrofolate reductase	Analysis of electrostatics and correlated motions for hydride transfer in dihydrofolate reductase
year cv	2004	2004
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	other
DOI crossref	10.1021/jp048565v
first author cv	Wong	Wong

Citations

OpenAlex: none
Scholar: 70
DOI: 10.1021/jp048565v

Match decisions

fingerprint merged · 1.00 · Run 18

2004 Application of the nuclear-electronic orbital method to hydrogen transfer systems: Multiple centers and multiconfigurational wavefunctions Chemical Physics article journal CV OA GS

CV span

lines 651–653 · CV · published

65166. M. V. Pak, C. Swalina, S. P. Webb, and S. Hammes-Schiffer, ·Application of the652nuclear-electronic orbital method to hydrogen transfer systems: Multiple centers and653multiconfigurational wavefunctions,· Chem. Phys. 304, 227-236 (2004).

Institution fields

Peer reviewed: yes
First author: Pak
Co-authors: M. V. Pak; C. Swalina; S. P. Webb; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Application of the nuclear-electronic orbital method to hydrogen transfer systems: Multiple centers and multiconfigurational wavefunctions	Application of the nuclear–electronic orbital method to hydrogen transfer systems: multiple centers and multiconfigurational wavefunctions
year cv	2004	2004
venue crossref	Chem. Phys.	Chemical physics	Chemical Physics
kind cv	article	other
DOI crossref	10.1016/j.chemphys.2004.06.009
first author cv	Pak	Pak

Citations

OpenAlex: none
Scholar: 52
DOI: 10.1016/j.chemphys.2004.06.009

Match decisions

fingerprint merged · 1.00 · Run 18

2004 Electron-proton correlation for hydrogen tunneling systems Physical Review Letters article journal CV OA GS

CV span

lines 641–642 · CV · published

64162. M. V. Pak and S. Hammes-Schiffer, ·Electron-proton correlation for hydrogen tunneling642systems,· Phys. Rev. Lett. 92, 103002 (2004).

Institution fields

Peer reviewed: yes
First author: Pak
Co-authors: M. V. Pak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Electron-proton correlation for hydrogen tunneling systems	Electron-proton correlation for hydrogen tunneling systems
year cv	2004	2004
venue crossref	Phys. Rev. Lett.	Physical review letters	Physical Review Letters
kind cv	article	other
DOI crossref	10.1103/physrevlett.92.103002
first author cv	Pak	Pak

Citations

OpenAlex: none
Scholar: 94
DOI: 10.1103/physrevlett.92.103002

Match decisions

fingerprint merged · 1.00 · Run 18

2004 Molecular dynamics of excited state intramolecular proton transfer: 2-(2·-hydroxyphenyl)-4-methyloxazole in gas phase, solution and protein environments The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 648–650 · CV · published

64865. O. Vendrell, M. Moreno, J. M. Lluch, and S. Hammes-Schiffer, ·Molecular dynamics of649excited state intramolecular proton transfer: 2-(2·-hydroxyphenyl)-4-methyloxazole in gas650phase, solution and protein environments,· J. Phys. Chem. B 108, 6616-6623 (2004).

Institution fields

Peer reviewed: yes
First author: Vendrell
Co-authors: O. Vendrell; M. Moreno; J. M. Lluch; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Molecular dynamics of excited state intramolecular proton transfer: 2-(2·-hydroxyphenyl)-4-methyloxazole in gas phase, solution and protein environments
year cv	2004
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp037671e
first author cv	Vendrell

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp037671e

Match decisions

No decision recorded; a single record.

2004 Proton-coupled electron transfer in soybean lipoxygenase Journal of the American Chemical Society article journal CV OA GS

CV span

lines 646–647 · CV · published

64664. E. Hatcher, A. V. Soudackov, and S. Hammes-Schiffer, ·Proton-coupled electron transfer in647soybean lipoxygenase,· J. Am. Chem. Soc. 126, 5763-5775 (2004).

Institution fields

Peer reviewed: yes
First author: Hatcher
Co-authors: E. Hatcher; A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer in soybean lipoxygenase	Proton-coupled electron transfer in soybean lipoxygenase
year cv	2004	2004
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja039606o
first author cv	Hatcher	Hatcher

Citations

OpenAlex: none
Scholar: 261
DOI: 10.1021/ja039606o

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records correspond to the 2007 JACS follow-up paper on dynamical behavior and kinetic isotope effects in soybean lipoxygenase.

2004 Quantum-classical simulation methods for hydrogen transfer in enzymes: A case study of dihydrofolate reductase Current Opinion in Structural Biology article journal CV OA GS

CV span

lines 643–645 · CV · published

64363. S. Hammes-Schiffer, ·Quantum-classical simulation methods for hydrogen transfer in644enzymes: A case study of dihydrofolate reductase,· Curr. Opin. Struct. Biol. 14, 192-201645(2004).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Quantum-classical simulation methods for hydrogen transfer in enzymes: A case study of dihydrofolate reductase	Quantum–classical simulation methods for hydrogen transfer in enzymes: a case study of dihydrofolate reductase
year cv	2004	2004
venue crossref	Curr. Opin. Struct. Biol.	Current Opinion in Structural Biology	Current Opinion in Structural Biology
kind cv	article	other
DOI crossref	10.1016/j.sbi.2004.03.008
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 89
DOI: 10.1016/j.sbi.2004.03.008

Match decisions

fingerprint merged · 1.00 · Run 18

2004 Theoretical studies of proton-coupled electron transfer reactions Biochimica et Biophysica Acta (BBA) - Bioenergetics article journal CV OA GS

CV span

lines 639–640 · CV · published

63961. S. Hammes-Schiffer and N. Iordanova, ·Theoretical studies of proton-coupled electron640transfer reactions,· Biochim. Biophys. Acta 1655, 29-36 (2004).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; N. Iordanova
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical studies of proton-coupled electron transfer reactions	Theoretical studies of proton-coupled electron transfer reactions
year cv	2004	2004
venue crossref	Biochim. Biophys. Acta	Biochimica et Biophysica Acta (BBA)-Bioenergetics	Biochimica et Biophysica Acta (BBA) - Bioenergetics
kind cv	article	other
DOI crossref	10.1016/j.bbabio.2003.07.009
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 93
DOI: 10.1016/j.bbabio.2003.07.009

Match decisions

fingerprint merged · 1.00 · Run 18

2003 A perspective on enzyme catalysis Science article journal CV OA GS

CV span

lines 632–633 · CV · published

63258. S. J. Benkovic and S. Hammes-Schiffer, ·A perspective on enzyme catalysis,· Science 301,6331196-1202 (2003).

Institution fields

Peer reviewed: yes
First author: Benkovic
Co-authors: S. J. Benkovic; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	A perspective on enzyme catalysis	A perspective on enzyme catalysis
year cv	2003	2003
venue crossref	Science	Science
kind cv	article	other
DOI crossref	10.1126/science.1085515
first author cv	Benkovic	Benkovic

Citations

OpenAlex: none
Scholar: 1595
DOI: 10.1126/science.1085515

Match decisions

fingerprint merged · 1.00 · Run 18

2003 Effect of mutation on enzyme motion in dihydrofolate reductase Journal of the American Chemical Society article journal CV OA GS

CV span

lines 628–629 · CV · published

62856. J. B. Watney, P. K. Agarwal, and S. Hammes-Schiffer, ·Effect of mutation on enzyme motion629in dihydrofolate reductase,· J. Am. Chem. Soc. 125, 3745-3750 (2003).

Institution fields

Peer reviewed: yes
First author: Watney
Co-authors: J. B. Watney; P. K. Agarwal; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Effect of mutation on enzyme motion in dihydrofolate reductase	Effect of mutation on enzyme motion in dihydrofolate reductase
year cv	2003	2003
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja028487u
first author cv	Watney	Watney

Citations

OpenAlex: none
Scholar: 152
DOI: 10.1021/ja028487u

Match decisions

fingerprint merged · 1.00 · Run 18

2003 Molecular dynamics with quantum transitions for proton transfer: Quantum treatment of hydrogen and donor-acceptor motions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 634–636 · CV · published

63459. S. Y. Kim and S. Hammes-Schiffer, ·Molecular dynamics with quantum transitions for proton635transfer: Quantum treatment of hydrogen and donor-acceptor motions,· J. Chem. Phys. 119,6364389-4398 (2003).

Institution fields

Peer reviewed: yes
First author: Kim
Co-authors: S. Y. Kim; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Molecular dynamics with quantum transitions for proton transfer: Quantum treatment of hydrogen and donor-acceptor motions	Molecular dynamics with quantum transitions for proton transfer: quantum treatment of hydrogen and donor–acceptor motions
year cv	2003	2003
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.1592509
first author cv	Kim	Kim

Citations

OpenAlex: none
Scholar: 86
DOI: 10.1063/1.1592509

Match decisions

fingerprint merged · 1.00 · Run 18

2003 Proton-coupled electron transfer in a model for tyrosine oxidation in photosystem II Journal of the American Chemical Society article journal CV OA GS

CV span

lines 637–638 · CV · published

63760. C. Carra, N. Iordanova, and S. Hammes-Schiffer, ·Proton-coupled electron transfer in a638model for tyrosine oxidation in photosystem II,· J. Am .Chem. Soc. 125, 10429-10436 (2003).

Institution fields

Peer reviewed: yes
First author: Carra
Co-authors: C. Carra; N. Iordanova; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer in a model for tyrosine oxidation in photosystem II	Proton-coupled electron transfer in a model for tyrosine oxidation in photosystem II
year cv	2003	2003
venue crossref	J. Am .Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja035588z
first author cv	Carra	Carra

Citations

OpenAlex: none
Scholar: 134
DOI: 10.1021/ja035588z

Match decisions

fingerprint merged · 1.00 · Run 18

2003 Vibrational analysis for the nuclear-electronic orbital method The Journal of Chemical Physics article journal CV OA GS

CV span

lines 630–631 · CV · published

63057. T. Iordanov and S. Hammes-Schiffer, ·Vibrational analysis for the nuclear-electronic631orbital method,· J. Chem. Phys. 118, 9489-9496 (2003).

Institution fields

Peer reviewed: yes
First author: Iordanov
Co-authors: T. Iordanov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Vibrational analysis for the nuclear-electronic orbital method	Vibrational analysis for the nuclear–electronic orbital method
year cv	2003	2003
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.1569913
first author cv	Iordanov	Iordanov

Citations

OpenAlex: none
Scholar: 72
DOI: 10.1063/1.1569913

Match decisions

fingerprint merged · 1.00 · Run 18

2002 Comparison of hydride, hydrogen atom, and proton-coupled electron transfer reactions ChemPhysChem article journal CV OA GS

CV span

lines 610–611 · CV · published

61049. S. Hammes-Schiffer, ·Comparison of hydride, hydrogen atom, and proton-coupled electron611transfer reactions,· ChemPhysChem 3, 33-42 (2002).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Comparison of hydride, hydrogen atom, and proton-coupled electron transfer reactions	Comparison of hydride, hydrogen atom, and proton‐coupled electron transfer reactions
year cv	2002	2002
venue crossref	ChemPhysChem	ChemPhysChem
kind cv	article	other
DOI crossref	10.1002/1439-7641(20020118)3:1<33::aid-cphc33>3.0.co;2-6
first author cv	Hammes-Schiffer	Hammes‐Schiffer

Citations

OpenAlex: none
Scholar: 159
DOI: 10.1002/1439-7641(20020118)3:1<33::aid-cphc33>3.0.co;2-6

Match decisions

fingerprint merged · 1.00 · Run 18

2002 Impact of enzyme motion on activity Biochemistry article journal CV OA GS

CV span

lines 626–627 · CV · published

62655. S. Hammes-Schiffer, ·Impact of enzyme motion on activity,· Biochemistry 41, 13335-13343627(2002).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Impact of enzyme motion on activity	Impact of enzyme motion on activity
year cv	2002	2002
venue crossref	Biochemistry	Biochemistry
kind cv	article	other
DOI crossref	10.1021/bi0267137
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 188
DOI: 10.1021/bi0267137

Match decisions

fingerprint merged · 1.00 · Run 18

2002 Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations The Journal of Chemical Physics article journal CV OA GS

CV span

lines 623–625 · CV · published

62354. S. P. Webb, T. Iordanov, and S. Hammes-Schiffer, ·Multiconfigurational nuclear-electronic624orbital approach: Incorporation of nuclear quantum effects in electronic structure625calculations,· J. Chem. Phys. 117, 4106-4118 (2002).

Institution fields

Peer reviewed: yes
First author: Webb
Co-authors: S. P. Webb; T. Iordanov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations	Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations
year cv	2002	2002
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.1494980
first author cv	Webb	Webb

Citations

OpenAlex: none
Scholar: 414
DOI: 10.1063/1.1494980

Match decisions

fingerprint merged · 1.00 · Run 18

2002 Network of coupled promoting motions in enzyme catalysis Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 612–614 · CV · published

61250. P. K. Agarwal, S. R. Billeter, P. T. R. Rajagopalan, S. J. Benkovic, and S.613Hammes-Schiffer, ·Network of coupled promoting motions in enzyme catalysis,· Proc. Nat. Acad.614Sci. USA 99, 2794-2799 (2002).

Institution fields

Peer reviewed: yes
First author: Agarwal
Co-authors: P. K. Agarwal; S. R. Billeter; P. T. R. Rajagopalan; S. J. Benkovic; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Network of coupled promoting motions in enzyme catalysis	Network of coupled promoting motions in enzyme catalysis
year cv	2002	2002
venue crossref	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	other
DOI crossref	10.1073/pnas.052005999
first author cv	Agarwal	Agarwal

Citations

OpenAlex: none
Scholar: 595
DOI: 10.1073/pnas.052005999

Match decisions

fingerprint merged · 1.00 · Run 18

2002 Nuclear quantum effects and enzyme dynamics in dihydrofolate reductase catalysis The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 615–617 · CV · published

61551. P. K. Agarwal, S. R. Billeter, and S. Hammes-Schiffer, ·Nuclear quantum effects and616enzyme dynamics in dihydrofolate reductase catalysis,· J. Phys. Chem. B 106, 3283-3293617(2002).

Institution fields

Peer reviewed: yes
First author: Agarwal
Co-authors: P. K. Agarwal; S. R. Billeter; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nuclear quantum effects and enzyme dynamics in dihydrofolate reductase catalysis	Nuclear quantum effects and enzyme dynamics in dihydrofolate reductase catalysis
year cv	2002	2002
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	other
DOI crossref	10.1021/jp020190v
first author cv	Agarwal	Agarwal

Citations

OpenAlex: none
Scholar: 225
DOI: 10.1021/jp020190v

Match decisions

fingerprint merged · 1.00 · Run 18

2002 Proton-coupled electron transfer in DNA-acrylamide complexes The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 621–622 · CV · published

62153. C. Carra, N. Iordanova, and S. Hammes-Schiffer, ·Proton-coupled electron transfer in622DNA-acrylamide complexes,· J. Phys. Chem. B 106, 8415-8421 (2002).

Institution fields

Peer reviewed: yes
First author: Carra
Co-authors: C. Carra; N. Iordanova; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Proton-coupled electron transfer in DNA-acrylamide complexes
year cv	2002
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp0209392
first author cv	Carra

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp0209392

Match decisions

gemini merged · 0.95 · Run 18 Both records refer to the 2002 JACS paper on large kinetic isotope effects in ruthenium polypyridyl complexes.

2002 Theoretical investigation of large kinetic isotope effects for proton-coupled electron transfer in ruthenium polypyridyl complexes Journal of the American Chemical Society article journal CV OA GS

CV span

lines 618–620 · CV · published

61852. N. Iordanova and S. Hammes-Schiffer, ·Theoretical investigation of large kinetic isotope619effects for proton-coupled electron transfer in ruthenium polypyridyl complexes,· J. Am.620Chem. Soc. 124, 4848-4856 (2002).

Institution fields

Peer reviewed: yes
First author: Iordanova
Co-authors: N. Iordanova; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical investigation of large kinetic isotope effects for proton-coupled electron transfer in ruthenium polypyridyl complexes	Theoretical investigation of large kinetic isotope effects for proton-coupled electron transfer in ruthenium polypyridyl complexes
year cv	2002	2002
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja017633d
first author cv	Iordanova	Iordanova

Citations

OpenAlex: none
Scholar: 82
DOI: 10.1021/ja017633d

Match decisions

gemini merged · 0.95 · Run 18 Both records refer to the 2002 JACS paper on large kinetic isotope effects in ruthenium polypyridyl complexes.

2001 Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes The Journal of Chemical Physics article journal CV OA GS

CV span

lines 588–590 · CV · published

58841. S. R. Billeter, S. P. Webb, T. Iordanov, P. K. Agarwal, and S. Hammes-Schiffer, ·Hybrid589approach for including electronic and nuclear quantum effects in molecular dynamics590simulations of hydrogen transfer reactions in enzymes,· J. Chem. Phys. 114, 6925-6936 (2001).

Institution fields

Peer reviewed: yes
First author: Billeter
Co-authors: S. R. Billeter; S. P. Webb; T. Iordanov; P. K. Agarwal; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes	Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes
year cv	2001	2001
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.1356441
first author cv	Billeter	Billeter

Citations

OpenAlex: none
Scholar: 156
DOI: 10.1063/1.1356441

Match decisions

fingerprint merged · 1.00 · Run 18

2001 Hybrid approach for the dynamical simulation of proton and hydride transfer in solution and proteins International Reviews in Physical Chemistry article CV OA GS

CV span

lines 602–604 · CV · published

60246. S. Hammes-Schiffer and S. R. Billeter, ·Hybrid approach for the dynamical simulation of603proton and hydride transfer in solution and proteins,· Int. Rev. Phys. Chem. 20, 591-616604(2001).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; S. R. Billeter
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Hybrid approach for the dynamical simulation of proton and hydride transfer in solution and proteins	Hybrid approach for the dynamical simulation of proton and hydride transfer in solution and proteins
year cv	2001	2001
venue crossref	Int. Rev. Phys. Chem.	International Reviews in Physical Chemistry	International Reviews in Physical Chemistry
kind cv	article	other
DOI crossref	10.1080/01442350110067402
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 55
DOI: 10.1080/01442350110067402

Match decisions

fingerprint merged · 1.00 · Run 18

2001 Hydride transfer in liver alcohol dehydrogenase: Quantum dynamics, kinetic isotope effects, and role of enzyme motion Journal of the American Chemical Society article journal CV OA GS

CV span

lines 607–609 · CV · published

60748. S. R. Billeter, S. P. Webb, P. K. Agarwal, T. Iordanov, and S. Hammes-Schiffer, ·Hydride608transfer in liver alcohol dehydrogenase: Quantum dynamics, kinetic isotope effects, and role609of enzyme motion,· J. Am. Chem. Soc. 123, 11262-11272 (2001).

Institution fields

Peer reviewed: yes
First author: Billeter
Co-authors: S. R. Billeter; S. P. Webb; P. K. Agarwal; T. Iordanov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Hydride transfer in liver alcohol dehydrogenase: Quantum dynamics, kinetic isotope effects, and role of enzyme motion	Hydride transfer in liver alcohol dehydrogenase: quantum dynamics, kinetic isotope effects, and role of enzyme motion
year cv	2001	2001
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja011384b
first author cv	Billeter	Billeter

Citations

OpenAlex: none
Scholar: 240
DOI: 10.1021/ja011384b

Match decisions

fingerprint merged · 1.00 · Run 18

2001 Molecular dynamics simulation of proton-coupled electron transfer in solution The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 605–606 · CV · published

60547. M. Kobrak and S. Hammes-Schiffer, ·Molecular dynamics simulation of proton-coupled606electron transfer in solution,· J. Phys. Chem. B 105, 10435-10445 (2001).

Institution fields

Peer reviewed: yes
First author: Kobrak
Co-authors: M. Kobrak; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Molecular dynamics simulation of proton-coupled electron transfer in solution
year cv	2001
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B
kind cv	article
DOI crossref	10.1021/jp012102x
first author cv	Kobrak

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp012102x

Match decisions

No decision recorded; a single record.

2001 Partial multidimensional grid generation method for efficient calculation of nuclear wavefunctions Chemical Physics Letters article journal CV OA GS

CV span

lines 591–593 · CV · published

59142. T. Iordanov, S. R. Billeter, S. P. Webb, and S. Hammes-Schiffer, ·Partial592multidimensional grid generation method for efficient calculation of nuclear wavefunctions,·593Chem. Phys. Lett. 338, 389-397 (2001).

Institution fields

Peer reviewed: yes
First author: Iordanov
Co-authors: T. Iordanov; S. R. Billeter; S. P. Webb; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Partial multidimensional grid generation method for efficient calculation of nuclear wavefunctions
year cv	2001
venue crossref	Chem. Phys. Lett.	Chemical Physics Letters
kind cv	article
DOI crossref	10.1016/s0009-2614(01)00298-6
first author cv	Iordanov

Citations

OpenAlex: none
Scholar: none
DOI: 10.1016/s0009-2614(01)00298-6

Match decisions

No decision recorded; a single record.

2001 Proton-coupled electron transfer Electron Transfer in Chemistry Vol. I. Principles, Theories, Methods, and Techniques chapter CV OA GS

CV span

lines 585–587 · CV · published

58540. S. Hammes-Schiffer, ·Proton-coupled electron transfer,· pp. 189-214 in Electron Transfer586in Chemistry Vol. I. Principles, Theories, Methods, and Techniques, ed. V. Balzani587(Wiley-VCH, Weinheim, 2001).

Institution fields

Peer reviewed: no
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: Wiley-VCH
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Proton-coupled electron transfer
year cv	2001
venue cv	Electron Transfer in Chemistry Vol. I. Principles, Theories, Methods, and Techniques
kind cv	chapter
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2001 Theoretical formulation for electron transfer coupled to multiple protons: Application to amidinium-carboxylate interfaces The Journal of Chemical Physics article journal CV OA GS

CV span

lines 599–601 · CV · published

59945. I. Rostov and S. Hammes-Schiffer, ·Theoretical formulation for electron transfer coupled600to multiple protons: Application to amidinium-carboxylate interfaces,· J. Chem. Phys. 115,601285-296 (2001).

Institution fields

Peer reviewed: yes
First author: Rostov
Co-authors: I. Rostov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Theoretical formulation for electron transfer coupled to multiple protons: Application to amidinium-carboxylate interfaces
year cv	2001
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.1376143
first author cv	Rostov

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.1376143

Match decisions

No decision recorded; a single record.

2001 Theoretical perspectives on proton-coupled electron transfer reactions Accounts of Chemical Research article journal CV OA GS

CV span

lines 594–595 · CV · published

59443. S. Hammes-Schiffer, ·Theoretical perspectives on proton-coupled electron transfer595reactions,· Acc. Chem. Res. 34, 273-281 (2001).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical perspectives on proton-coupled electron transfer reactions	Theoretical perspectives on proton-coupled electron transfer reactions
year cv	2001	2001
venue crossref	Acc. Chem. Res.	Accounts of chemical research	Accounts of Chemical Research
kind cv	article	other
DOI crossref	10.1021/ar9901117
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 535
DOI: 10.1021/ar9901117

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records represent the 2001 JACS paper on iron bi-imidazoline complexes.

2001 Theoretical study of electron, proton, and proton-coupled electron transfer reactions in iron bi-imidazoline complexes Journal of the American Chemical Society article journal CV OA GS

CV span

lines 596–598 · CV · published

59644. N. Iordanova, H. Decornez, and S. Hammes-Schiffer, ·Theoretical study of electron,597proton, and proton-coupled electron transfer reactions in iron bi-imidazoline complexes,· J.598Am. Chem. Soc. 123, 3723-3733 (2001).

Institution fields

Peer reviewed: yes
First author: Iordanova
Co-authors: N. Iordanova; H. Decornez; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical study of electron, proton, and proton-coupled electron transfer reactions in iron bi-imidazoline complexes	Theoretical study of electron, proton, and proton-coupled electron transfer in iron bi-imidazoline complexes
year cv	2001	2001
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja0100524
first author cv	Iordanova	Iordanova

Citations

OpenAlex: none
Scholar: 96
DOI: 10.1021/ja0100524

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records represent the 2001 JACS paper on iron bi-imidazoline complexes.

2000 Combining electronic structure methods with the calculation of hydrogen vibrational wavefunctions: Application to hydride transfer in liver alcohol dehydrogenase The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 576–578 · CV · published

57637. S. P. Webb, P. K. Agarwal, and S. Hammes-Schiffer, ·Combining electronic structure577methods with the calculation of hydrogen vibrational wavefunctions: Application to hydride578transfer in liver alcohol dehydrogenase,· J. Phys. Chem. B 104, 8884-8894 (2000).

Institution fields

Peer reviewed: yes
First author: Webb
Co-authors: S. P. Webb; P. K. Agarwal; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Combining electronic structure methods with the calculation of hydrogen vibrational wavefunctions: Application to hydride transfer in liver alcohol dehydrogenase	Combining electronic structure methods with the calculation of hydrogen vibrational wavefunctions: Application to hydride transfer in liver alcohol dehydrogenase
year cv	2000	2000
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	other
DOI crossref	10.1021/jp001635n
first author cv	Webb	Webb

Citations

OpenAlex: none
Scholar: 70
DOI: 10.1021/jp001635n

Match decisions

fingerprint merged · 1.00 · Run 18

2000 Computational studies of the mechanism for proton and hydride transfer in liver alcohol dehydrogenase Journal of the American Chemical Society article journal CV OA GS

CV span

lines 567–569 · CV · published

56734. P. K. Agarwal, S. P. Webb, and S. Hammes-Schiffer, ·Computational studies of the568mechanism for proton and hydride transfer in liver alcohol dehydrogenase,· J. Am. Chem. Soc.569122, 4803-4812 (2000).

Institution fields

Peer reviewed: yes
First author: Agarwal
Co-authors: P. K. Agarwal; S. P. Webb; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Computational studies of the mechanism for proton and hydride transfer in liver alcohol dehydrogenase	Computational studies of the mechanism for proton and hydride transfer in liver alcohol dehydrogenase
year cv	2000	2000
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja994456w
first author cv	Agarwal	Agarwal

Citations

OpenAlex: none
Scholar: 213
DOI: 10.1021/ja994456w

Match decisions

fingerprint merged · 1.00 · Run 18

2000 Derivation of rate expressions for nonadiabatic proton-coupled electron transfer reactions in solution The Journal of Chemical Physics article journal CV OA GS

CV span

lines 573–575 · CV · published

57336. A. Soudackov and S. Hammes-Schiffer, ·Derivation of rate expressions for nonadiabatic574proton-coupled electron transfer reactions in solution,· J. Chem. Phys. 113, 2385-2396575(2000).

Institution fields

Peer reviewed: yes
First author: Soudackov
Co-authors: A. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Derivation of rate expressions for nonadiabatic proton-coupled electron transfer reactions in solution	Derivation of rate expressions for nonadiabatic proton-coupled electron transfer reactions in solution
year cv	2000	2000
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.482053
first author cv	Soudackov	Soudackov

Citations

OpenAlex: none
Scholar: 270
DOI: 10.1063/1.482053

Match decisions

fingerprint merged · 1.00 · Run 18

2000 Fourier grid Hamiltonian multiconfigurational self-consistent-field: A method to calculate multidimensional hydrogen vibrational wavefunctions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 579–581 · CV · published

57938. S. P. Webb and S. Hammes-Schiffer, ·Fourier grid Hamiltonian multiconfigurational580self-consistent-field: A method to calculate multidimensional hydrogen vibrational581wavefunctions,· J. Chem. Phys. 113, 5214-5227 (2000).

Institution fields

Peer reviewed: yes
First author: Webb
Co-authors: S. P. Webb; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Fourier grid Hamiltonian multiconfigurational self-consistent-field: A method to calculate multidimensional hydrogen vibrational wavefunctions	Fourier grid Hamiltonian multiconfigurational self-consistent-field: A method to calculate multidimensional hydrogen vibrational wavefunctions
year cv	2000	2000
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.1289528
first author cv	Webb	Webb

Citations

OpenAlex: none
Scholar: 147
DOI: 10.1063/1.1289528

Match decisions

fingerprint merged · 1.00 · Run 18

2000 Model proton-coupled electron transfer reactions in solution: Predictions of rates, mechanisms, and kinetic isotope effects The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 582–584 · CV · published

58239. H. Decornez and S. Hammes-Schiffer, ·Model proton-coupled electron transfer reactions in583solution: Predictions of rates, mechanisms, and kinetic isotope effects,· J. Phys. Chem. A584104, 9370-9384 (2000), featured on the cover.

Institution fields

Peer reviewed: yes
First author: Decornez
Co-authors: H. Decornez; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Model proton-coupled electron transfer reactions in solution: Predictions of rates, mechanisms, and kinetic isotope effects	Model proton-coupled electron transfer reactions in solution: predictions of rates, mechanisms, and kinetic isotope effects
year cv	2000	2000
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI crossref	10.1021/jp001967s
first author cv	Decornez	Decornez

Citations

OpenAlex: none
Scholar: 128
DOI: 10.1021/jp001967s

Match decisions

fingerprint merged · 1.00 · Run 18

2000 Reaction path Hamiltonian analysis of dynamical solvent effects for a Claisen rearrangement and a Diels Alder reaction The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 570–572 · CV · published

57035. H. Hu, M. N. Kobrak, C. Xu, and S. Hammes-Schiffer, ·Reaction path Hamiltonian analysis571of dynamical solvent effects for a Claisen rearrangement and a Diels Alder reaction,· J.572Phys. Chem. A 104, 8058-8066 (2000).

Institution fields

Peer reviewed: yes
First author: Hu
Co-authors: H. Hu; M. N. Kobrak; C. Xu; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Reaction path Hamiltonian analysis of dynamical solvent effects for a Claisen rearrangement and a Diels Alder reaction	Reaction Path Hamiltonian Analysis of Dynamical Solvent Effects for a Claisen Rearrangement and a Diels− Alder Reaction
year cv	2000	2000
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI crossref	10.1021/jp000449e
first author cv	Hu	Hu

Citations

OpenAlex: none
Scholar: 53
DOI: 10.1021/jp000449e

Match decisions

fingerprint merged · 1.00 · Run 18

1999 Comparison of surface hopping and mean field approaches for model proton transfer reactions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 555–556 · CV · published

55529. J.-Y. Fang and S. Hammes-Schiffer, ·Comparison of surface hopping and mean field556approaches for model proton transfer reactions,· J. Chem. Phys. 110, 11166-11175 (1999).

Institution fields

Peer reviewed: yes
First author: Fang
Co-authors: J.-Y. Fang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Comparison of surface hopping and mean field approaches for model proton transfer reactions	Comparison of surface hopping and mean field approaches for model proton transfer reactions
year cv	1999	1999
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.479058
first author cv	Fang	Fang

Citations

OpenAlex: none
Scholar: 162
DOI: 10.1063/1.479058

Match decisions

fingerprint merged · 1.00 · Run 18

1999 Effects of model protein environments on the dynamics of proton wires Israel J. Chem. article journal CV OA GS

CV span

lines 559–561 · CV · published

55931. H. Decornez and S. Hammes-Schiffer, ·Effects of model protein environments on the560dynamics of proton wires,· Israel J. Chem. 39, 397-407 (1999) (special issue on Proton561Solvation and Proton Mobility).

Institution fields

Peer reviewed: yes
First author: Decornez
Co-authors: H. Decornez; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Effects of model protein environments on the dynamics of proton wires
year cv	1999
venue cv	Israel J. Chem.
kind cv	article
first author cv	Decornez

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

1999 Improvement of the internal consistency in trajectory surface hopping The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 562–563 · CV · published

56232. J.-Y. Fang and S. Hammes-Schiffer, ·Improvement of the internal consistency in trajectory563surface hopping,· J. Phys. Chem. A 103, 9399-9407 (1999).

Institution fields

Peer reviewed: yes
First author: Fang
Co-authors: J.-Y. Fang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Improvement of the internal consistency in trajectory surface hopping	Improvement of the internal consistency in trajectory surface hopping
year cv	1999	1999
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI crossref	10.1021/jp991602b
first author cv	Fang	Fang

Citations

OpenAlex: none
Scholar: 262
DOI: 10.1021/jp991602b

Match decisions

fingerprint merged · 1.00 · Run 18

1999 Multistate continuum theory for multiple charge transfer reactions in solution The Journal of Chemical Physics article journal CV OA GS

CV span

lines 557–558 · CV · published

55730. A. Soudackov and S. Hammes-Schiffer, ·Multistate continuum theory for multiple charge558transfer reactions in solution,· J. Chem. Phys. 111, 4672-4687 (1999).

Institution fields

Peer reviewed: yes
First author: Soudackov
Co-authors: A. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multistate continuum theory for multiple charge transfer reactions in solution	Multistate continuum theory for multiple charge transfer reactions in solution
year cv	1999	1999
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.479229
first author cv	Soudackov	Soudackov

Citations

OpenAlex: none
Scholar: 194
DOI: 10.1063/1.479229

Match decisions

fingerprint merged · 1.00 · Run 18

1999 Removal of the double adiabatic approximation for proton-coupled electron transfer reactions in solution Chemical Physics Letters article journal CV OA GS

CV span

lines 550–552 · CV · published

55027. A. V. Soudackov and S. Hammes-Schiffer, ·Removal of the double adiabatic approximation551for proton-coupled electron transfer reactions in solution,· Chem. Phys. Lett. 299, 503-510552(1999).

Institution fields

Peer reviewed: yes
First author: Soudackov
Co-authors: A. V. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Removal of the double adiabatic approximation for proton-coupled electron transfer reactions in solution
year cv	1999
venue crossref	Chem. Phys. Lett.	Chemical Physics Letters
kind cv	article
DOI crossref	10.1016/s0009-2614(98)01347-5
first author cv	Soudackov

Citations

OpenAlex: none
Scholar: none
DOI: 10.1016/s0009-2614(98)01347-5

Match decisions

No decision recorded; a single record.

1999 Solvation and hydrogen-bonding effects on proton wires The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 553–554 · CV · published

55328. H. Decornez, K. Drukker, and S. Hammes-Schiffer, ·Solvation and hydrogen-bonding effects554on proton wires,· J. Phys. Chem. A 103, 2891-2898 (1999).

Institution fields

Peer reviewed: yes
First author: Decornez
Co-authors: H. Decornez; K. Drukker; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Solvation and hydrogen-bonding effects on proton wires	Solvation and hydrogen-bonding effects on proton wires
year cv	1999	1999
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI crossref	10.1021/jp984775u
first author cv	Decornez	Decornez

Citations

OpenAlex: none
Scholar: 100
DOI: 10.1021/jp984775u

Match decisions

fingerprint merged · 1.00 · Run 18

1999 Theoretical study of photoinduced proton-coupled electron transfer through asymmetric salt bridges Journal of the American Chemical Society article journal CV OA GS

CV span

lines 564–566 · CV · published

56433. A. Soudackov and S. Hammes-Schiffer, ·Theoretical study of photoinduced proton-coupled565electron transfer through asymmetric salt bridges,· J. Am. Chem. Soc. 121, 10598-10607566(1999).

Institution fields

Peer reviewed: yes
First author: Soudackov
Co-authors: A. Soudackov; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Theoretical study of photoinduced proton-coupled electron transfer through asymmetric salt bridges	Theoretical study of photoinduced proton-coupled electron transfer through asymmetric salt bridges
year cv	1999	1999
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI crossref	10.1021/ja992380y
first author cv	Soudackov	Soudackov

Citations

OpenAlex: none
Scholar: 60
DOI: 10.1021/ja992380y

Match decisions

fingerprint merged · 1.00 · Run 18

1998 Mixed quantum/classical dynamics of hydrogen transfer reactions The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 548–549 · CV · published

54826. S. Hammes-Schiffer, ·Mixed quantum/classical dynamics of hydrogen transfer reactions·549(Feature Article), J. Phys. Chem. A 102, 10443-10454 (1998).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Mixed quantum/classical dynamics of hydrogen transfer reactions	Mixed quantum/classical dynamics of hydrogen transfer reactions
year cv	1998	1998
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI crossref	10.1021/jp983246n
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 102
DOI: 10.1021/jp983246n

Match decisions

fingerprint merged · 1.00 · Run 18

1998 Mixed quantum/classical dynamics of single proton, multiple proton, and proton-coupled electron transfer reactions in the condensed phase Comparisons of Classical and Quantum Dynamics, Volume III of Advances in Classical Trajectory Methods chapter CV OA GS

CV span

lines 542–545 · CV · published

54224. S. Hammes-Schiffer, ·Mixed quantum/classical dynamics of single proton, multiple proton,543and proton-coupled electron transfer reactions in the condensed phase,· pp. 73-119 in544Comparisons of Classical and Quantum Dynamics, Volume III of Advances in Classical Trajectory545Methods, ed. W. L. Hase (JAI Press, Inc., Greenwich, 1998).

Institution fields

Peer reviewed: no
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: JAI Press, Inc.
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Mixed quantum/classical dynamics of single proton, multiple proton, and proton-coupled electron transfer reactions in the condensed phase
year cv	1998
venue cv	Comparisons of Classical and Quantum Dynamics, Volume III of Advances in Classical Trajectory Methods
kind cv	chapter
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

1998 Proton transport along water chains and NADH hydride transfer in solution Ber. Bunsenges. Phys. Chem. article CV OA GS

CV span

lines 533–535 · CV · published

53320. H. Decornez, K. Drukker, M. M. Hurley, and S. Hammes-Schiffer, ·Proton transport along534water chains and NADH hydride transfer in solution,· Ber. Bunsenges. Phys. Chem. 102, 533-543535(1998) (special issue on hydrogen transfer).

Institution fields

Peer reviewed: yes
First author: Decornez
Co-authors: H. Decornez; K. Drukker; M. M. Hurley; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Proton transport along water chains and NADH hydride transfer in solution
year cv	1998
venue cv	Ber. Bunsenges. Phys. Chem.
kind cv	article
first author cv	Decornez

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

1998 Proton transport along water chains in an electric field The Journal of Chemical Physics article journal CV OA GS

CV span

lines 536–537 · CV · published

53621. K. Drukker, S. de Leeuw, and S. Hammes-Schiffer, ·Proton transport along water chains in537an electric field,· J. Chem. Phys. 108, 6799-6808 (1998).

Institution fields

Peer reviewed: yes
First author: Drukker
Co-authors: K. Drukker; S. de Leeuw; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton transport along water chains in an electric field	Proton transport along water chains in an electric field
year cv	1998	1998
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.476095
first author cv	Drukker	Drukker

Citations

OpenAlex: none
Scholar: 57
DOI: 10.1063/1.476095

Match decisions

fingerprint merged · 1.00 · Run 18

1998 Quantum dynamics of multiple modes for reactions in complex systems Faraday Discussions article journal CV OA GS

CV span

lines 546–547 · CV · published

54625. S. Hammes-Schiffer, ·Quantum dynamics of multiple modes for reactions in complex547systems,· Faraday Discuss. Chem. Soc. 110, 391-406 (1998).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Quantum dynamics of multiple modes for reactions in complex systems
year cv	1998
venue crossref	Faraday Discuss. Chem. Soc.	Faraday Discussions
kind cv	article
DOI crossref	10.1039/a801120f
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1039/a801120f

Match decisions

No decision recorded; a single record.

1998 Time-dependent self-consistent-field dynamics based on a reaction path Hamiltonian II. Numerical tests The Journal of Chemical Physics article journal CV OA GS

CV span

lines 540–541 · CV · published

54023. J.-Y. Fang and S. Hammes-Schiffer, ·Time-dependent self-consistent-field dynamics based541on a reaction path Hamiltonian II. Numerical tests,· J. Chem. Phys. 109, 7051-7063 (1998).

Institution fields

Peer reviewed: yes
First author: Fang
Co-authors: J.-Y. Fang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Time-dependent self-consistent-field dynamics based on a reaction path Hamiltonian II. Numerical tests
year cv	1998
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.477388
first author cv	Fang

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.477388

Match decisions

No decision recorded; a single record.

1998 Time-dependent self-consistent-field dynamics based on a reaction path Hamiltonian I. Theory The Journal of Chemical Physics article journal CV OA GS

CV span

lines 538–539 · CV · published

53822. J.-Y. Fang and S. Hammes-Schiffer, ·Time-dependent self-consistent-field dynamics based539on a reaction path Hamiltonian I. Theory,· J. Chem. Phys. 108, 7085-7099 (1998).

Institution fields

Peer reviewed: yes
First author: Fang
Co-authors: J.-Y. Fang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Time-dependent self-consistent-field dynamics based on a reaction path Hamiltonian I. Theory
year cv	1998
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.476126
first author cv	Fang

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.476126

Match decisions

No decision recorded; a single record.

1997 An analytical derivation of MC-SCF vibrational wavefunctions for the quantum dynamical simulation of multiple proton transfer reactions: Initial application to protonated water chains The Journal of Chemical Physics article journal CV OA GS

CV span

lines 524–526 · CV · published

52417. K. Drukker and S. Hammes-Schiffer, ·An analytical derivation of MC-SCF vibrational525wavefunctions for the quantum dynamical simulation of multiple proton transfer reactions:526Initial application to protonated water chains,· J. Chem. Phys. 107, 363-374 (1997).

Institution fields

Peer reviewed: yes
First author: Drukker
Co-authors: K. Drukker; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	An analytical derivation of MC-SCF vibrational wavefunctions for the quantum dynamical simulation of multiple proton transfer reactions: Initial application to protonated water chains	An analytical derivation of MC-SCF vibrational wave functions for the quantum dynamical simulation of multiple proton transfer reactions: Initial application to protonated …
year cv	1997	1997
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.474397
first author cv	Drukker	Drukker

Citations

OpenAlex: none
Scholar: 61
DOI: 10.1063/1.474397

Match decisions

fingerprint merged · 1.00 · Run 18

1997 Development of a potential surface for simulation of proton and hydride transfer in solution: Application to NADH hydride transfer The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 521–523 · CV · published

52116. M. M. Hurley and S. Hammes-Schiffer, ·Development of a potential surface for simulation522of proton and hydride transfer in solution: Application to NADH hydride transfer,· J. Phys.523Chem. A 101, 3977-3989 (1997).

Institution fields

Peer reviewed: yes
First author: Hurley
Co-authors: M. M. Hurley; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Development of a potential surface for simulation of proton and hydride transfer in solution: Application to NADH hydride transfer
year cv	1997
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A
kind cv	article
DOI crossref	10.1021/jp970269d
first author cv	Hurley

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jp970269d

Match decisions

No decision recorded; a single record.

1997 Excited state dynamics with nonadiabatic transitions for model photoinduced proton-coupled electron transfer reactions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 527–529 · CV · published

52718. J.-Y. Fang and S. Hammes-Schiffer, ·Excited state dynamics with nonadiabatic transitions528for model photoinduced proton-coupled electron transfer reactions,· J. Chem. Phys. 107,5295727-5739 (1997).

Institution fields

Peer reviewed: yes
First author: Fang
Co-authors: J.-Y. Fang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Excited state dynamics with nonadiabatic transitions for model photoinduced proton-coupled electron transfer reactions	Excited state dynamics with nonadiabatic transitions for model photoinduced proton-coupled electron transfer reactions
year cv	1997	1997
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.474333
first author cv	Fang	Fang

Citations

OpenAlex: none
Scholar: 59
DOI: 10.1063/1.474333

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records correspond to the 1997 J. Chem. Phys. paper on excited state dynamics with nonadiabatic transitions.

1997 Nonadiabatic dynamics for processes involving multiple avoided curve crossings: Double proton transfer and proton-coupled electron transfer reactions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 530–532 · CV · published

53019. J.-Y. Fang and S. Hammes-Schiffer, ·Nonadiabatic dynamics for processes involving531multiple avoided curve crossings: Double proton transfer and proton-coupled electron transfer532reactions,· J. Chem. Phys. 107, 8933-8939 (1997).

Institution fields

Peer reviewed: yes
First author: Fang
Co-authors: J.-Y. Fang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nonadiabatic dynamics for processes involving multiple avoided curve crossings: Double proton transfer and proton-coupled electron transfer reactions	Nonadiabatic dynamics for processes involving multiple avoided curve crossings: Double proton transfer and proton-coupled electron transfer reactions
year cv	1997	1997
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.475185
first author cv	Fang	Fang

Citations

OpenAlex: none
Scholar: 102
DOI: 10.1063/1.475185

Match decisions

fingerprint merged · 1.00 · Run 18

1997 Proton-coupled electron transfer reactions in solution: molecular dynamics with quantum transitions for model systems The Journal of Chemical Physics article journal CV OA GS

CV span

lines 518–520 · CV · published

51815. J.-Y. Fang and S. Hammes-Schiffer, ·Proton-coupled electron transfer reactions in519solution: molecular dynamics with quantum transitions for model systems,· J. Chem. Phys. 106,5208442-8454 (1997).

Institution fields

Peer reviewed: yes
First author: Fang
Co-authors: J.-Y. Fang; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton-coupled electron transfer reactions in solution: molecular dynamics with quantum transitions for model systems	Proton-coupled electron transfer reactions in solution: Molecular dynamics with quantum transitions for model systems
year cv	1997	1997
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.473903
first author cv	Fang	Fang

Citations

OpenAlex: none
Scholar: 99
DOI: 10.1063/1.473903

Match decisions

gemini merged · 0.95 · Run 18 The cv and scholar records correspond to the 1997 J. Chem. Phys. paper on excited state dynamics with nonadiabatic transitions.

1997 Surface hopping and fully quantum dynamical wavepacket propagation on multiple coupled adiabatic potential surfaces for proton transfer reactions Chemical Physics Letters article journal CV OA GS

CV span

lines 515–517 · CV · published

51514. J. Morelli and S. Hammes-Schiffer, ·Surface hopping and fully quantum dynamical516wavepacket propagation on multiple coupled adiabatic potential surfaces for proton transfer517reactions,· Chem. Phys. Lett. 269, 161-170 (1997).

Institution fields

Peer reviewed: yes
First author: Morelli
Co-authors: J. Morelli; S. Hammes-Schiffer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Surface hopping and fully quantum dynamical wavepacket propagation on multiple coupled adiabatic potential surfaces for proton transfer reactions	Surface hopping and fully quantum dynamical wavepacket propagation on multiple coupled adiabatic potential surfaces for proton transfer reactions
year cv	1997	1997
venue crossref	Chem. Phys. Lett.	Chemical physics letters	Chemical Physics Letters
kind cv	article	other
DOI crossref	10.1016/s0009-2614(97)00251-0
first author cv	Morelli	Morelli

Citations

OpenAlex: none
Scholar: 66
DOI: 10.1016/s0009-2614(97)00251-0

Match decisions

fingerprint merged · 1.00 · Run 18

1996 Multiconfigurational molecular dynamics with quantum transitions: Multiple proton transfer reactions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 513–514 · CV · published

51313. S. Hammes-Schiffer, ·Multiconfigurational molecular dynamics with quantum transitions:514Multiple proton transfer reactions,· J. Chem. Phys. 105, 2236-2246 (1996).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Multiconfigurational molecular dynamics with quantum transitions: Multiple proton transfer reactions	Multiconfigurational molecular dynamics with quantum transitions: multiple proton transfer reactions
year cv	1996	1996
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.472093
first author cv	Hammes-Schiffer	Hammes‐Schiffer

Citations

OpenAlex: none
Scholar: 80
DOI: 10.1063/1.472093

Match decisions

fingerprint merged · 1.00 · Run 18

1995 Nonadiabatic transition state theory and multiple potential energy surface molecular dynamics of infrequent events The Journal of Chemical Physics article journal CV OA GS

CV span

lines 510–512 · CV · published

51012. S. Hammes-Schiffer and J. C. Tully, ·Nonadiabatic transition state theory and multiple511potential energy surface molecular dynamics of infrequent events,· J. Chem. Phys. 103,5128528-8537 (1995).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; J. C. Tully
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nonadiabatic transition state theory and multiple potential energy surface molecular dynamics of infrequent events	Nonadiabatic transition state theory and multiple potential energy surface molecular dynamics of infrequent events
year cv	1995	1995
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.470162
first author cv	Hammes-Schiffer	Hammes‐Schiffer

Citations

OpenAlex: none
Scholar: 151
DOI: 10.1063/1.470162

Match decisions

fingerprint merged · 1.00 · Run 18

1995 Vibrationally enhanced proton transfer The Journal of Physical Chemistry article journal CV OA GS

CV span

lines 508–509 · CV · published

50811. S. Hammes-Schiffer and J. C. Tully, ·Vibrationally enhanced proton transfer,· J. Phys.509Chem. 99, 5793-5797 (1995).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; J. C. Tully
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Vibrationally enhanced proton transfer	Vibrationally enhanced proton transfer
year cv	1995	1995
venue crossref	J. Phys. Chem.	The Journal of Physical Chemistry	The Journal of Physical Chemistry
kind cv	article	other
DOI crossref	10.1021/j100016a011
first author cv	Hammes-Schiffer	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: 105
DOI: 10.1021/j100016a011

Match decisions

fingerprint merged · 1.00 · Run 18

1994 A new formulation of the Hartree-Fock-Roothaan method for electronic structure calculations on crystals The Journal of Chemical Physics article journal CV OA GS

CV span

lines 503–505 · CV · published

5039. S. Hammes-Schiffer and H. C. Andersen, ·A new formulation of the Hartree-Fock-Roothaan504method for electronic structure calculations on crystals,· J. Chem. Phys. 101, 375-393505(1994).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; H. C. Andersen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	A new formulation of the Hartree-Fock-Roothaan method for electronic structure calculations on crystals
year cv	1994
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article
DOI crossref	10.1063/1.468145
first author cv	Hammes-Schiffer

Citations

OpenAlex: none
Scholar: none
DOI: 10.1063/1.468145

Match decisions

No decision recorded; a single record.

1994 Proton transfer in solution: Molecular dynamics with quantum transitions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 506–507 · CV · published

50610. S. Hammes-Schiffer and J. C. Tully, ·Proton transfer in solution: Molecular dynamics with507quantum transitions,· J. Chem. Phys. 101, 4657-4667 (1994).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; J. C. Tully
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Proton transfer in solution: Molecular dynamics with quantum transitions	Proton transfer in solution: Molecular dynamics with quantum transitions
year cv	1994	1994
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.467455
first author cv	Hammes-Schiffer	Hammes‐Schiffer

Citations

OpenAlex: none
Scholar: 1689
DOI: 10.1063/1.467455

Match decisions

fingerprint merged · 1.00 · Run 18

1993 Ab initio and semiempirical methods for molecular dynamics simulations based on general Hartree-Fock theory The Journal of Chemical Physics article journal CV OA GS

CV span

lines 498–500 · CV · published

4987. S. Hammes-Schiffer and H. C. Andersen, ·Ab initio and semiempirical methods for molecular499dynamics simulations based on general Hartree-Fock theory,· J. Chem. Phys. 99, 523-532500(1993).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; H. C. Andersen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Ab initio and semiempirical methods for molecular dynamics simulations based on general Hartree-Fock theory	Ab initio and semiempirical methods for molecular dynamics simulations based on general Hartree–Fock theory
year cv	1993	1993
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.465776
first author cv	Hammes-Schiffer	Hammes‐Schiffer

Citations

OpenAlex: none
Scholar: 47
DOI: 10.1063/1.465776

Match decisions

fingerprint merged · 1.00 · Run 18

1993 The advantages of the general Hartree-Fock method for future computer simulation of materials The Journal of Chemical Physics article journal CV OA GS

CV span

lines 501–502 · CV · published

5018. S. Hammes-Schiffer and H. C. Andersen, ·The advantages of the general Hartree-Fock method502for future computer simulation of materials,· J. Chem. Phys. 99, 1901-1913 (1993).

Institution fields

Peer reviewed: yes
First author: Hammes-Schiffer
Co-authors: S. Hammes-Schiffer; H. C. Andersen
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	The advantages of the general Hartree-Fock method for future computer simulation of materials	The advantages of the general Hartree–Fock method for future computer simulation of materials
year cv	1993	1993
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.465305
first author cv	Hammes-Schiffer	Hammes‐Schiffer

Citations

OpenAlex: none
Scholar: 74
DOI: 10.1063/1.465305

Match decisions

fingerprint merged · 1.00 · Run 18

1991 Electric field effects on emission line shapes when electron transfer competes with emission: An example from photosynthetic reaction centers J. Phys. Chem. article journal CV OA GS

CV span

lines 495–497 · CV · published

4956. D. J. Lockhart, S. L. Hammes, S. Franzen, and S. G. Boxer, ·Electric field effects on496emission line shapes when electron transfer competes with emission: An example from497photosynthetic reaction centers,· J. Phys. Chem. 95, 2217-2226 (1991).

Institution fields

Peer reviewed: yes
First author: Lockhart
Co-authors: D. J. Lockhart; S. L. Hammes; S. Franzen; S. G. Boxer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Electric field effects on emission line shapes when electron transfer competes with emission: An example from photosynthetic reaction centers
year cv	1991
venue cv	J. Phys. Chem.
kind cv	article
first author cv	Lockhart

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

1991 Vibrational structure of the formyl group on heme A: Implications on the properties of cytochrome c oxidase Biophys. J. article journal CV OA GS

CV span

lines 492–494 · CV · published

4925. S. Han, Y-C. Ching, S. L. Hammes, and D. L. Rousseau, ·Vibrational structure of the formyl493group on heme A: Implications on the properties of cytochrome c oxidase,· Biophys. J. 60,49445-52 (1991).

Institution fields

Peer reviewed: yes
First author: Han
Co-authors: S. Han; Y-C. Ching; S. L. Hammes; D. L. Rousseau
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Vibrational structure of the formyl group on heme A: Implications on the properties of cytochrome c oxidase
year cv	1991
venue cv	Biophys. J.
kind cv	article
first author cv	Han

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

1990 Stark spectroscopy of the Rhodobacter sphaeroides reaction center heterodimer mutant Proc. Nat. Acad. Sci. USA article journal CV OA GS

CV span

lines 489–491 · CV · published

4894. S. L. Hammes, L. Mazzola, S. G. Boxer, D. F. Gaul, and C. C. Schenck, ·Stark spectroscopy490of the Rhodobacter sphaeroides reaction center heterodimer mutant,· Proc. Nat. Acad. Sci. USA49187, 5682-5686 (1990).

Institution fields

Peer reviewed: yes
First author: Hammes
Co-authors: S. L. Hammes; L. Mazzola; S. G. Boxer; D. F. Gaul; C. C. Schenck
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Stark spectroscopy of the Rhodobacter sphaeroides reaction center heterodimer mutant	Stark spectroscopy of the Rhodobacter sphaeroides reaction center heterodimer mutant.
year cv	1990	1990
venue cv	Proc. Nat. Acad. Sci. USA	Proceedings of the National Academy of Sciences
kind cv	article	other
first author cv	Hammes	Hammes

Citations

OpenAlex: none
Scholar: 83

Match decisions

fingerprint merged · 1.00 · Run 18

1989 Dynamics of radiation damping in nuclear magnetic resonance J. Chem. Phys. article journal CV OA GS

CV span

lines 487–488 · CV · published

4873. W. S. Warren, S.L. Hammes, and J. L. Bates, ·Dynamics of radiation damping in nuclear488magnetic resonance,· J. Chem. Phys. 91, 5895-5904 (1989).

Institution fields

Peer reviewed: yes
First author: Warren
Co-authors: W. S. Warren; S.L. Hammes; J. L. Bates
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Dynamics of radiation damping in nuclear magnetic resonance	Dynamics of radiation damping in nuclear magnetic resonance
year cv	1989	1989
venue cv	J. Chem. Phys.	The Journal of chemical physics
kind cv	article	other
first author cv	Warren	Warren

Citations

OpenAlex: none
Scholar: 161

Match decisions

fingerprint merged · 1.00 · Run 18

1988 Selective excitation without phase distortion using self-refocused amplitude- and amplitude/phase-modulated pulses J. Mag. Res. article CV OA GS

CV span

lines 482–484 · CV · published

4821. F. Loaiza, M. A. McCoy, S. L. Hammes, and W. S. Warren, ·Selective excitation without483phase distortion using self-refocused amplitude- and amplitude/phase-modulated pulses,· J.484Mag. Res. 77, 175-181 (1988).

Institution fields

Peer reviewed: yes
First author: Loaiza
Co-authors: F. Loaiza; M. A. McCoy; S. L. Hammes; W. S. Warren
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Selective excitation without phase distortion using self-refocused amplitude- and amplitude/phase-modulated pulses	Selective excitation without phase distortion using self-refocused amplitude-and amplitude/phase-modulated pulses
year cv	1988	1988
venue cv	J. Mag. Res.	Journal of magnetic resonance
kind cv	article	other
first author cv	Loaiza	Loaiza

Citations

OpenAlex: none
Scholar: 49

Match decisions

fingerprint merged · 1.00 · Run 18

1988 Understanding of phase modulation in two-level systems through inverse scattering Phys. Rev. A article journal CV OA GS

CV span

lines 485–486 · CV · published

4852. A. Hasenfeld, S. L. Hammes, and W. S. Warren, ·Understanding of phase modulation in486two-level systems through inverse scattering,· Phys. Rev. A 38, 2678-2681 (1988).

Institution fields

Peer reviewed: yes
First author: Hasenfeld
Co-authors: A. Hasenfeld; S. L. Hammes; W. S. Warren
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Understanding of phase modulation in two-level systems through inverse scattering
year cv	1988
venue cv	Phys. Rev. A
kind cv	article
first author cv	Hasenfeld

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

Citations received by year

Publications

Positions

Entries needing review

Entries dropped by a reviewer

Title	Organization	Years	Rank	Source	Lines
A. Barton Hepburn Professor of Chemistry current	Princeton University	2024–	not kept year not on lines	CV	17, 18
Sterling Professor of Chemistry	Yale University	2021–2023	not kept year not on lines	CV	19, 20
John Gamble Kirkwood Professor of Chemistry	Yale University	2018–2021	not kept year not on lines	CV	21, 22
Swanlund Professor of Chemistry	University of Illinois at Urbana-Champaign	2012–2017	not kept year not on lines	CV	23, 24
Eberly Professor in Biotechnology	Pennsylvania State University	2006–2012	not kept year not on lines	CV	25, 26
Professor of Chemistry	Pennsylvania State University	2003–2012	not kept year not on lines	CV	27, 28
Shaffer Associate Professor of Chemistry	Pennsylvania State University	2000–2003	not kept year not on lines	CV	29, 30
Clare Boothe Luce Assistant Professor of Chemistry	University of Notre Dame	1995–2000	not kept year not on lines	CV	31, 32
Postdoctoral research scientist AT&T Bell Laboratories	AT&T Bell Laboratories, Murray Hill, NJ	1993–1995	not kept year not on lines	CV	33, 34
A. Barton Hepburn Professor of Chemistry			Distinguished named	CV current position	17, 18
Princeton University			Unknown	Scholar