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Journal

The Journal of Physical Chemistry B

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TierB

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Each figure with its percentile among the ranked journals. A is the median, over the academics with a work here, of that academic’s citations to the works this site counts for them - never a Google Scholar profile total. Over every academic of this field, all years, whatever the filters select.

A · academics’ median10,363.0 · 37%

B · citations per work154.5 · 70%

N · works212 · 87%

P · academics51 · 92%

Formula result0.843

From this institution

Under these filters. A work with no citation count is unknown here, never a zero.

Works211

Citations29,479 over 190 of 211 works

Citations per counted work155.2

Weighted citations—

Academics51

Departments8

First seen1997

Works placed per year

211 of these 211 works carry a year; an undated work is in no year. Works placed, under these filters.

Departments publishing there 8

Department	Works
Penn Chemistry	51
Princeton Chemistry	45
Yale Chemistry	41
Columbia Chemistry	21
Brown Chemistry	20
Cornell Chemistry	18
Dartmouth Chemistry	10
Harvard Chemistry	7

A work held by two departments counts once in each, so these add up to more than the works above.

Works placed there 211

Year	Title	Academics	Citations
2001	Evaluation and Reparameterization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides.	William Jorgensen	4,886
2006	Functionalized single graphene sheets derived from splitting graphite oxide	Roberto Car	4,593
2010	Current Status of the AMOEBA Polarizable Force Field	Robert A. DiStasio Jr.	1,758
2003	Charge Transfer on the Nanoscale: Current Status	Xiaoyang Zhu	1,318
2002	Diameter-controlled synthesis of carbon nanotubes	Hongkun Park	1,153
2017	Localized Bond Charge Corrected CM1A Charges for Condensed-Phase Simulations.	William Jorgensen	1,010
2015	Water Dispersion Interactions Strongly Influence Simulated Structural Properties of Disordered Protein States	Paul Robustelli	948
2001	Ultrafast electron transfer dynamics from adsorbate molecules to nanocrystalline semiconductor thin films	Tianquan “Tim” Lian	619
2008	Proton-coupled electron transfer in solution, proteins, and electrochemistry	Sharon Hammes-Schiffer	536
2003	Controlled synthesis and assembly of FePt nanoparticles	Shouheng Sun	502
1998	Development of an All-Atom Force Field for Heterocycles. Properties of Liquid Pyrrole, Furan, Diazoles, and Oxazoles	William Jorgensen	413
2000	Electron transfer rates in bridged molecular systems 2. A steady state analysis of coherent tunneling and thermal transitions	Abraham Nitzan	408
1999	Femtosecond IR Study of Excited State Relaxation and Electron Injection Dynamics of Ru(dcbpy)2(NCS)2 in Solution and on Nanocrystalline TiO2 and Al2O3 Thin Films	Tianquan “Tim” Lian	362
2005	Bio-functionalization of monodisperse magnetic nanoparticles and their use as biomolecular labels in a magnetic tunnel junction based sensor	Shouheng Sun	298
1998	Dynamics of Electron Injection in Nanocrystalline Titanium Dioxide Films Sensitized with [Ru(4,4’-dicarboy- 2,2’-bipyridyine)2(NCS)2] by Infrared Transient Absorption	Tianquan “Tim” Lian	294
2004	Free Energies of Hydration from a Generalized Born Model and an All-Atom Force Field.	William Jorgensen	255
2009	Prediction of the Water Content in Protein Binding Sites.	William Jorgensen	248
2003	Parameters affecting electron injection dynamics from Ru dyes to TiO2 nanocrystalline thin film	Tianquan “Tim” Lian	235
2001	Multiplicity of Generation, Selection, and Classiﬁcation Procedures for Jammed Hard-Particle Packings	Salvatore Torquato	234
2002	Nuclear quantum effects and enzyme dynamics in dihydrofolate reductase catalysis	Sharon Hammes-Schiffer	225
1998	New Method for Determination of Surface Potential of Microscopic Particles by Second Harmonic Generation	E. Chui-Ying Yan	219
2005	Observation of individual microtubule motor steps in living cells with endocytosed quantum dots	Peng Chen	218
2002	QM/MM Simulations of Cycloaddition Reactions in Water: Contribution of Enhanced Hydrogen Bonding at the Transition State to the Solvent Effects.	William Jorgensen	213
2000	Bridge length dependent ultrafast Electron injection from Re polypyridal complexes to nanocrystalline TiO2 thin films studied by femtosecond IR spectroscopy	Tianquan “Tim” Lian	211
2003	Comparison of Electron Transfer Dynamics in intramolecular and molecule-to-nanoparticle charge transfer complexes	Tianquan “Tim” Lian	189
1998	Direct Observation of Ultrafast Electron Injection From Coumarin 343 to TiO2 Nanoparticles by Femtosecond Infrared Spectroscopy	Tianquan “Tim” Lian	175
2004	Charge Transport at Metal−Molecule Interfaces: A Spectroscopic View	Xiaoyang Zhu	174
2001	New Linear Interaction Method for Binding Affinity Calculations Using a Continuum Solvent Model.	William Jorgensen	167
1998	Interfacial Electron Transfer between Fe(II)(CN)64- and TiO2 Nanoparticles: Direct Electron Injection and Nonexponential Recombination	Tianquan “Tim” Lian	163
2007	Why Urea Eliminates Ammonia Rather Than Hydrolyzes in Aqueous Solution.	William Jorgensen	155
2000	Back Electron Transfer From TiO2 Nanoparticles to Fe(III)(CN)63-: Origin of Non-single-exponential and Particle Size Independent Dynamics	Tianquan “Tim” Lian	154
2013	High-Throughput Ellipsometric Characterization of Vapor-Deposited Indomethacin Glasses	Zahra Fakhraai	149
1998	A QM/MM Method Based on CM1A Charges: Applications to Solvent Effects on Organic Equilibria and Reactions	William Jorgensen	143
2006	Facile Syntheses of Monodisperse Ultra-Small Au Clusters	Lai-Sheng Wang	142
1997	Monte Carlo Simulations for Proteins: Binding Affinities for Trypsin-Benzamidine Complexes via Free Energy Perturbations	William Jorgensen	137
2000	Activated conduction in microscopic molecular junctions	Abraham Nitzan	134
2004	Comparison of Dynamic Lattice Monte-Carlo Simulations and Dielectric Self Energy Poisson-Nernst-Planck continuum theory for model ion-channels	Abraham Nitzan	130
2000	A dynamic lattice Monte Carlo model of ion transport in inhomogeneous dielectric environments: Method and implementation	Abraham Nitzan	130
2004	Toward the Solution Synthesis of the Tetrahedral Au20 Cluster	Lai-Sheng Wang	129
1999	A coherent mixing mechanism explains the photoinduced nuclear polarization in photosynthetic reaction centers	Ann E. McDermott	129
2006	Conformation of Alkanes in the Gas Phase and Pure Liquids.	William Jorgensen	126
2000	Tunneling Time for Electron Transfer Reactions	Abraham Nitzan	122
2004	A case study in the molecular interpretation of optical Kerr effect spectra: Instantaneous-normal-mode analysis of the OKE spectrum of liquid benzene	Richard Stratt	119
1998	Energetics and Population of Molecules at Microscopic Liquid and Solid Surfaces	E. Chui-Ying Yan	119
2002	The Effect of Trap States on Interfacial Electron Transfer between Molecular Absorbates and Semiconductor Nanoparticles	Tianquan “Tim” Lian	116
1999	A Failure of Continuum Theory: Temperature Dependence of the Solvent Reorganization Energy of Electron Transfer in Highly Polar Solvents	Matthew Zimmt	110
2008	An H/D isotopic substitution study of the H5O2 +·Ar vibrational predissociation spectra: Exploring the putative role of Fermi resonances in the bridging proton fundamentals	Mark Johnson	105
2001	Ferromagnetic Resonance Study of Superparamagnetic Cobalt Nanoparticles	Shouheng Sun	97
2007	Time-resolved electric force microscopy of charge trapping in polycrystalline pentacene	John A. Marohn	95
2004	Analyzing the Structure of CoFe-Fe3O4 Core-Shell Nanoparticles by Electron Imaging and Diffraction	Shouheng Sun	94
2011	Local geometry of electromagnetic fields and its role in molecular multipole transitions	Adam Cohen	94
1999	Ultrafast Multi-exponential Electron Injection in Ru(dcbpy)2(NCS)2 Sensitized ZnO nanocrystalline Thin Films	Tianquan “Tim” Lian	91
2002	Controlling the Short-Range Order and Packing Densities of Many-Particle Systems	Salvatore Torquato	86
2010	Role of solvent dynamics in ultrafast photoinduced proton-coupled electron transfer reactions in solution	Sharon Hammes-Schiffer	84
1999	The Nature of Electronic Contact in Self-Assembled Monolayers for Molecular Electronics: Evidence for Strong Coupling	Xiaoyang Zhu	82
2003	Molecular Wire Junctions: Tuning the Conductance	Abraham Nitzan	81
2003	Bridget assisted ultrafast interfacial electron transfer to nanocrystalline SnO2 thin films	Tianquan “Tim” Lian	80
2015	Proteins at Interfaces Probed by Chiral Sum Frequency Generation Spectroscopy	E. Chui-Ying Yan	78
2006	Vibrational Relaxation of CN stretch of Pseudo-halide Anions (OCN−, SCN− and SeCN−) in Polar Solvents	Tianquan “Tim” Lian	77
2002	Unoccupied States in C 60 Thin Films Probed by Two-Photon Photoemission	Xiaoyang Zhu	72
2014	Compact and Blinking- Suppressed Quantum Dots for Single-Particle Tracking in Live Cells	Tianquan “Tim” Lian	72
2014	Equilibrium Phase Behavior and Maximally Random Jammed State of Truncated Tetrahedra	Salvatore Torquato	72
2023	OpenMSCG: A Software Tool for Bottom-up Coarse-graining	Jaehyeok Jin	71
1999	Two-Photon Photoemission Study of Heterogeneous Electron Transfer: C 6 F 6 on Cu(111)	Xiaoyang Zhu	70
2000	Combining electronic structure methods with the calculation of hydrogen vibrational wavefunctions: Application to hydride transfer in liver alcohol dehydrogenase	Sharon Hammes-Schiffer	70
2004	Analysis of electrostatics and correlated motions for hydride transfer in dihydrofolate reductase	Sharon Hammes-Schiffer	70
2005	Electron Injection Dynamics of Ru Polypyridyl Complexes on SnO2 Nanocrystalline Thin Films	Tianquan “Tim” Lian	68
1998	Electron transmission through molecular layers	Abraham Nitzan	67
2000	Electronic Structure at Organic/Metal Interfaces: Naphthalene/Cu(111)	Xiaoyang Zhu	65
2015	Derivative Couplings between TD-DFT Excited States in the Random-Phase Approximation Based on Pseudo-Wavefunctions: Behavior around Conical Intersections	Joseph Subotnik	65
2005	pH dependent electron transfer from molecules to metal oxide nanocrystalline thin films	Tianquan “Tim” Lian	64
2007	Kinetic analysis of sequential multi-step reactions	Xiaowei Zhuang	62
2005	A Molecular switch based on a biologically important redox reaction	Paul Robustelli	61
2010	Exploring Solvent Effects on the Menshutkin Reaction using a Polarizable Force Field.	William Jorgensen	61
2005	Molecular transport junctions: Asymmetry in inelastic tunneling processes	Abraham Nitzan	60
2001	Effect of Counterions on Molecular Transport across Liposome Bilayer: Probed by Second Harmonic Generation	E. Chui-Ying Yan	60
2006	Why does the intermolecular dynamics of liquid biphenyl so closely resemble that of liquid benzene? Molecular dynamics simulation of the optical-Kerr-effect spectra	Richard Stratt	57
2015	Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex	Sharon Hammes-Schiffer	56
2004	Monte Carlo Backbone Sampling for Nucleic Acids using Concerted Rotations including Variable Bond Angles.	William Jorgensen	55
2017	Dynamic Nuclear Polarization Signal Enhancement with High-Affinity Biradical Tags	Ann E. McDermott · Virginia W. Cornish	53
2023	Ensemble reweighting using cryo-EM particle images	Erik Thiede	52
2012	Quantitative Nanoscale Analysis of IgE-FcRI Clustering and Coupling to Early Signaling Proteins	Barbara A. Baird	51
2006	Noncontact dielectric friction	John A. Marohn	51
2007	Comparison of Electron Injection Dynamics from Re-bipyridyl Complexes to TiO2 Nanocrystalline Thin Films in Different Solvent Environments	Tianquan “Tim” Lian	51
2008	Critical exponents for line tension and dipole density difference from lipid monolayer domain boundary fluctuations	Tobias Baumgart	51
2015	Calculating Derivative Couplings between TDHF Excited States with Pseudo-Wavefunctions	Joseph Subotnik	51
2005	Nonadiabatic proton-coupled electron transfer reactions: Impact of donor-acceptor vibrations, reorganization energies, and couplings on dynamics and rates	Sharon Hammes-Schiffer	50
2010	Impact of distal mutation on hydrogen transfer interface and substrate conformation in soybean lipoxygenase	Sharon Hammes-Schiffer	49
2017	Improved Description of Sulfur Anisotropy in OPLS Force Fields. Model Development and Parameterization.	William Jorgensen	49
2010	NI; Johnson, ME; Head-Gordon, T. Current status of the AMOEBA polarizable force field	Robert A. DiStasio Jr.	48
2014	Exciton Localization and Dissociation Dynamics in CdS and CdS-Pt Quantum Confined Nanorods: Effect of Non-uniform Rod Diameters	Tianquan “Tim” Lian	48
2015	Fast singlet exciton decay in push–pull molecules containing oxidized thiophenes	Luis M. Campos	47
2006	Ultrafast Photoinduced Charge Separation Dynamics in Polythiophene/SnO2 Nanocomposites	Tianquan “Tim” Lian	47
2004	SF5-Terminated Fluorinated SchiﬀBase Liquid Crystals	Robert A. DiStasio Jr.	46
2012	Nonadiabatic dynamics of photoinduced proton-coupled electron transfer: Comparison of explicit and implicit solvent simulations	Sharon Hammes-Schiffer	46
2016	Proton quantization and vibrational relaxation in nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex	Sharon Hammes-Schiffer	46
2018	Inverse Design of Novel Colloidal Crystals Via Optimized Patchy Interactions	Salvatore Torquato	46
2005	Length Dependence of Charge Transport in Nanoscopic Molecular Junctions Incorporating a Series of Rigid Thiol-Terminated Norbornylogs	Xiaoyang Zhu	45
2005	Electron Transport Across the Alkanethiol Self-assembled Monolayer/Au(111) Interface: Role of the Chemical Anchor	Xiaoyang Zhu	45
2007	Electron dynamics at polyacene/Au (111) interfaces	Xiaoyang Zhu	42
1999	Probing the Interface of Microscopic Clay Particles in Aqueous Solution by Second Harmonic Generation	E. Chui-Ying Yan	42
2017	NMR signal quenching from bound biradical affinity reagents in DNP samples	Ann E. McDermott	41
2005	Spectroscopic Implications of Partially Quenched Orbital Angular Momentum in the OH− Water Complex	Marsha I. Lester	41
2020	Insulin dissociates by diverse mechanisms of coupled unfolding and unbinding	Erik Thiede	40
2004	Distance-Dependent Electronic Coupling at Molecule−Metal Interfaces: C60/Cu(111)	Xiaoyang Zhu	39
2005	Stresses inside critical nuclei	Angelo Cacciuto	39
2001	Electronic Band Formation at Organic−Metal Interfaces: Role of Adsorbate−Surface Interaction	Xiaoyang Zhu	37
2004	Vibrational echoes: Dephasing, rephasing, and the stability of classical trajectories	Gregory Sion Ezra	37
2004	Ultrafast Electron Transfer from Ru Polypyridyl Complexes to Nb2O5 Nanoporous Thin Films	Tianquan “Tim” Lian	37
2002	Effective medium theory of conduction in stretched polymer electrolytes	Abraham Nitzan	37
2019	Exploring the Importance of Surface Diffusion in Stability of Vapor Deposited Organic Glasses	Zahra Fakhraai	36
1999	Direct Photodesorption of Atomic Hydrogen from Si(100) at 157 nm: Experiment and Simulation	Xiaoyang Zhu	35
2014	Can Surface Hopping sans Decoherence Recover Marcus Theory? Understanding the Role of Friction in a Surface Hopping View of Electron Transfer.	Joseph Subotnik	35
2018	Cell volume controls protein stability and compactness of the unfolded state	Caitlin Davis	35
2009	Folding of Small Proteins with Chemical Shift Restrained Monte Carlo Simulations without the use of Molecular Fragment Replacement or Structural Homology	Paul Robustelli	34
2011	On the Mechanism and Rate of Spontaneous Decomposition of Amino Acids.	William Jorgensen	34
2023	Spatiotemporal heterogeneity of de novo lipogenesis in fixed and living single-cells	Caitlin Davis	33
2020	Integrated variational approach to conformational dynamics: A robust strategy for identifying eigenfunctions of dynamical operators	Erik Thiede	32
2020	A unified de novo approach for predicting the structures of ordered and disordered proteins	E. James Petersson	32
2012	Domain- Swapped Dimeric Structure of a Stable and Functional De Novo 4-Helix Bundle protein, WA20	Michael Hecht	32
2019	Chiral Inversion of Amino Acids in Anti-Parallel β-sheets Probed by Vibrational Sum Frequency Generation Spectroscopy	E. Chui-Ying Yan	31
2019	Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Drug-like Inhibitor.	William Jorgensen	31
2011	Dielectric fluctuations over polymer films detected using an atomic force microscope	John A. Marohn	29
2005	Ultrafast Electron Transfer between Molecule Adsorbate and Antimony Doped Tin Oxide (ATO) Nanoparticles	Tianquan “Tim” Lian	29
2019	Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase.	William Jorgensen	27
2010	Single-Molecule Interfacial Electron Transfer in Donor-Bridge-Nanoparticle Acceptor Complexes	Tianquan “Tim” Lian	26
2015	A Hybrid Quantum Mechanical Approach: Intimate Details of Electron Transfer Between Type I CdSe/ZnS Quantum Dots and an Anthraquinone Molecule	Tianquan “Tim” Lian	26
2007	Oxygen Effects on the EPR Signals from Wood Charcoals: Experimental Results and the Development of a Model	Dean E. Wilcox	25
2015	Quantifying Multistate Cytoplasmic Molecular Diffusion in Bacterial Cells via Inverse Transform of Confined Displacement Distribution	Peng Chen	25
2001	In-situ Studies of Molecular Transfer between Colloidal Surfaces by Second Harmonic Generation	E. Chui-Ying Yan	25
2000	Rotational Dynamics of Anisotropic Particles Studied by Second Harmonic Generation	E. Chui-Ying Yan	25
2001	Iso-g(2) Processes in Equilibrium Statistical Mechanics	Salvatore Torquato	24
2004	Pair Correlation Function Realizability: Lattice Model Implications	Salvatore Torquato	24
2008	Mechanical stability of micropipet-aspirated giant vesicles with fluid phase coexistence	Tobias Baumgart	23
2021	Cellular sticking can strongly reduce complex binding by speeding dissociation	Caitlin Davis	23
2022	Understanding Relationships Between Free Volume and Oxygen Absorption in Ionic Liquids	Jarad Mason	22
2017	Potential Artifacts in Sample Preparation Methods Used for Imaging Amyloid Oligomers and Protoﬁbrils due to Surface-Mediated Fibril Formation	E. James Petersson · Zahra Fakhraai	22
2019	Simple and Efficient Theoretical Approach To Compute 2D Optical Spectra	Joseph Subotnik	22
2009	Origin of the Activity Drop with the E50D Variant of Catalytic Antibody 34E4 for Kemp Elimination.	William Jorgensen	22
2009	Nanomechanical Contrasts of Gel and Fluid Phase Supported Lipid Bilayers	Xiaoyang Zhu	21
2015	Quantitative connection between ensemble thermodynamics and single-molecule kinetics: a case study using cryogenic electron microscopy and single-molecule fluorescence …	Ruben L Gonzalez Jr	20
2006	Electron Transfer Dynamics from Ru Polypyridyl Complexes to In2O3 Nanocrystalline Thin Films	Tianquan “Tim” Lian	20
2021	Simulation of the Chiral Sum Frequency Generation Response of Supramolecular Structures Requires Vibrational Couplings	E. Chui-Ying Yan · Sharon Hammes-Schiffer	20
2023	Molecular Rotations, Multi-Scale Order, Hyperuniformity and Signatures of Metastability During the Compression/Decompression Cycles of Amorphous Ices	Salvatore Torquato	20
2025	Effects of Nanoplastics on Lipid Membranes and Vice Versa: Insights from All-Atom Molecular Dynamics Simulations	Wenlin Zhang	19
2004	Solvation induced vibrational peak shift of a Re bipyridyl complex in solution and at nanoporous ZrO2/liquid interface	Tianquan “Tim” Lian	19
2020	Rosetta machine learning models accurately classify positional effects of thioamides on proteolysis	E. James Petersson	19
2016	Unique biophysical properties of repetitive DNA	Sarah Delaney	18
2018	Computation of a Theoretical Membrane Phase Diagram and the Role of Phase in Lipid-Raft-Mediated Protein Organization	Barbara A. Baird	18
2011	2D-ELDOR Study of Heterogeneity and Domain Structure Changes in Plasma Membrane Vesicles upon Cross-Linking of Receptors	Barbara A. Baird	18
2024	Bidirectional energy flow in the photosystem II supercomplex	Eric Arsenault	18
2023	Design of an Electrostatic Frequency Map for the NH Stretch of the Protein Backbone and Application to Chiral Sum Frequency Generation Spectroscopy	E. Chui-Ying Yan · Sharon Hammes-Schiffer	17
1997	Generation of the Photoacoustic Effect through Heat Diffusion: Transient Grating Measurements in Reverse Micellar Solutions	Matthew Zimmt	16
2021	A Simple New Way To Account for Free Volume in Glassy Dynamics: Model-Free Estimation of the Close-Packed Volume from PVT Data	Jane E. G. Lipson	16
2011	Packing of soft asymmetric dumbbells	Angelo Cacciuto	16
2010	This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. ME Johnson and T. Head-Gordon	Robert A. DiStasio Jr.	16
2010	Photo- and Biophysical Studies of Lectin-Conjugated Fluorescent Nanoparticles: Reduced Sensitivity in High Density Assays	Amit Basu · Matthew Zimmt	14
2002	The Electronic Properties of a Model Active Site for Blue Copper Proteins as Probed by Stark Spectroscopy	Patrick Holland	14
2022	Molecular Driving Force for Facet Selectivity of Sequence-Defined Amphiphilic Peptoids at Au–Water Interfaces	Xin Qi	13
2013	Cooperative effects in inelastic tunneling	Abraham Nitzan	13
2021	Probing ligand effects on the ultrafast dynamics of copper complexes via midinfrared pump–probe and 2DIR spectroscopies	Neil C. Tomson	13
2022	Transbilayer Coupling of Lipids in Cells Investigated by Imaging Fluorescence Correlation Spectroscopy	Barbara A. Baird	12
2019	Identifying Polymorphs of Amyloid-β (1–40) Fibrils Using High-Resolution Atomic Force Microscopy	Zahra Fakhraai	12
2015	Shape Amphiphiles in 2-D: Assembly of 1-D Stripes and Control of Their Surface Density	Matthew Zimmt	11
2025	Protein Coatings Dictate the Dispersibility and Stability of Hydrophobic Zeolitic-Imidazolate Frameworks in Water	Jarad Mason	11
2016	Hydration Properties and Solvent Effects for All-Atom Solutes in Polarizable Coarse-Grained Water	William Jorgensen	11
2011	Influence of fluorocarbon and hydrocarbon acyl groups at the surface of bovine carbonic anhydrase II on the kinetics of denaturation by sodium dodecyl sulfate	Katherine A. Mirica	10
2023	Generalizable Synthesis of Highly Fluorinated Ionic Liquids	Jarad Mason	9
2025	Electrostatic Work Causes Unexpected Reactivity in Ionic Photoredox Catalysts in Low Dielectric Constant Solvents	Robert Knowles	9
2015	The effects of electronic-state-dependent solute polarizability: Application to solute-pump/solvent-probe spectra	Richard Stratt	8
2005	Photothermal Readout of Surface-Arrayed Proteins: Attomole Detection Levels with Gold Nanoparticle Visualization	Matthew Zimmt	8
2008	The anomalously slow solvent structural relaxation accompanying high-energy rotational relaxation	Richard Stratt	7
2013	Odd or even? Monolayer domain size depends on diyne position in alkadiynylanthracenes	Matthew Zimmt	7
2023	Direct Measurement of Polymer-Chain-End-to-End Distances by Using RAFT Chain Transfer Agent as the FRET Acceptor	Wenlin Zhang	7
2002	Traversal times for resonant tunneling	Abraham Nitzan	7
2021	Kinetic Frustration Effects on Dense Two-Dimensional Packings of Convex Particles and Their Structural Characteristics	Salvatore Torquato	6
2025	When B2 is not enough: Investigating simple metrics to assess phase behavior of intrinsically disordered proteins	William M. Jacobs	5
2024	Perturbative Expansion in Reciprocal Space: Bridging Microscopic and Mesoscopic Descriptions of Molecular Interactions	Jaehyeok Jin	5
2008	The anatomy of an energy transfer event in a liquid: The high-energy rotational relaxation of OH in solution	Richard Stratt	4
2024	Thermal Stability and Photostability of Highly Confined Molecular Nanocomposites	Zahra Fakhraai	4
2024	Characterizing rotational dynamics and heterogeneity via single-molecule intensity measurements	Laura J. Kaufman	3
2018	Molecular Mechanics Simulations and Improved Tight-Binding Hamiltonians for Artificial Light Harvesting Systems: Predicting Geometric Distributions, Disorder, and Spectroscopy …	Joonho Lee	3
2015	Scientific History and Recollections	William Jorgensen	3
2026	Uncovering the Subtleties of Solvation and Speciation of Organic Halide Salts in Organic Solvents	John A. Marohn	2
2024	Hierarchical Framework for Predicting Entropies in Bottom-Up Coarse-Grained Models	Jaehyeok Jin	2
2019	A Novel Method to Measure the Effective Change of the Interfacial Energy due to Kinetic Self-Assembly of Amyloid Fibrils	Zahra Fakhraai	1
2024	Similarity Metrics for Sub-Cellular Analysis of FRET Microscopy Videos	Caitlin Davis	1
2020	Energy, work, entropy and heat balance in Marcus molecular junctions	Abraham Nitzan	0
2018	Accurate protein-folding transition-path statistics from a simple free-energy landscape	William M. Jacobs	0
2024	A Tribute to Gregory A. Voth	Jaehyeok Jin	0
2016	Photoelectron Spectroscopy of BiAu− and BiBO−: Further Evidence of the Analogy between Au and Boronyl	Lai-Sheng Wang	—
2006	Observation of Triatomic Species With Conflicting Aromaticity: AlSi2– and AlGe2–	Lai-Sheng Wang	—
2026	Assessing the Martini Force Field for Modeling Polyolefin Nanoplastics near Lipid Membranes	Wenlin Zhang	—
2025	Tribute to Professor Mark Ediger	Zahra Fakhraai	—
2003	Electron injection dynamics in dye-sensitized ZnO nanocrystalline thin films	Tianquan “Tim” Lian	—
2007	Anharmonic effects in ammonium nitrate and hydroxylammonium nitrate clusters	Sharon Hammes-Schiffer	—
2006	Hydrogen bonding pathways in human dihydroorotate dehydrogenase	Sharon Hammes-Schiffer	—
2006	Comparison of coupled motions in Escherichia coli and Bacillus subtilis dihydrofolate reductase	Sharon Hammes-Schiffer	—
2013	Photoinduced proton-coupled electron transfer of hydrogen-bonded p-nitrophenyl-phenol-methylamine complex in solution	Sharon Hammes-Schiffer	—
2009	Driving force dependence of rates for nonadiabatic proton and proton-coupled electron transfer: Conditions for inverted region behavior	Sharon Hammes-Schiffer	—
2021	Investigation of the pKa of the nucleophilic O2· of the hairpin ribozyme	Sharon Hammes-Schiffer	—
2001	Molecular dynamics simulation of proton-coupled electron transfer in solution	Sharon Hammes-Schiffer	—
2019	Electron-coupled double proton transfer in the Slr1694 BLUF photoreceptor: A multireference electronic structure study	Sharon Hammes-Schiffer	—
2004	Molecular dynamics of excited state intramolecular proton transfer: 2-(2·-hydroxyphenyl)-4-methyloxazole in gas phase, solution and protein environments	Sharon Hammes-Schiffer	—
2011	Mechanistic strategies in the HDV ribozyme: Chelated and diffuse metal ion interactions and active site protonation	Sharon Hammes-Schiffer	—
2006	Freezing a single distal motion in dihydrofolate reductase	Sharon Hammes-Schiffer	—
2002	Proton-coupled electron transfer in DNA-acrylamide complexes	Sharon Hammes-Schiffer	—
2021	Computing proton-coupled redox potentials of fluorotyrosines in a protein environment	Sharon Hammes-Schiffer	—
2008	Substituent effects on the vibronic coupling for the phenoxyl/phenol self-exchange reaction	Sharon Hammes-Schiffer	—
2017	Effects of active site mutations on specificity of nucleobase binding in human DNA polymerase	Sharon Hammes-Schiffer	—
2009	Computational approach for ranking mutant enzymes according to catalytic reaction rates	Sharon Hammes-Schiffer	—

Citations as counted, before any journal weight: 190 of these 211 works carry a count, and a work with no count is unknown, never a zero.