Journal

Faraday Discussions

Published here

29 counted works of 29 linked

YearTitleAcademicsSources
2024 Adsorption and vibrational spectroscopy of CO on the surface of MgO from periodic local coupled-cluster theory Timothy C Berkelbach GS
2024 Correlation in extended systems: general discussion Tianyu Zhu GS
2024 Gaussian Processes for Finite-Size Extrapolation of Many-Body Simulations Brenda Rubenstein CV OA GS
2024 Reaction interferometry with ultracold molecules Kang-Kuen Ni OA GS
2024 Restoring translational symmetry in periodic all-orbital dynamical mean-field theory simulations Tianyu Zhu GS
2024 Scattering in extreme environments: general discussion Kang-Kuen Ni OA GS
2024 Scattering of larger molecules – part 1: general discussion Kang-Kuen Ni OA GS
2024 Stochastic and low-scaling techniques/extended systems: general discussion Brenda Rubenstein OA GS
2023 Catalytic Reduction of Dinitrogen to Ammonia Using Molybdenum Porphyrin Complexes Patrick Holland CV OA GS
2021 Mapping Static Core-Holes and Ring-Currents with X-ray Scattering Peter Weber CV
2021 Strong-field induced fragmentation and isomerization of toluene probed by ultrafast femtosecond electron diffraction and mass spectrometry Peter Weber CV
2021 Time-resolved diffraction: general discussion Peter Weber CV
2021 Ultrafast X-ray science: general discussion Peter Weber CV
2020 Quantum effects in complex systems: Summarizing remarks Sharon Hammes-Schiffer CV
2019 Theoretical analysis of the inverted region in photoinduced proton-coupled electron transfer Sharon Hammes-Schiffer CV
2019 Two-dimensional electronic vibrational spectroscopy and ultrafast excitonic and vibronic photosynthetic energy transfer Eric Arsenault GS
2017 Ethylene Oligomerization in Metal-Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes Miguel I. Gonzalez; Jeffrey R. Long CV GS
2016 Deriving the exact nonadiabatic quantum propagator in the mapping variable representation Nandini Ananth GS
2016 Femtosecond Photodissociation Dynamics of Di-Iodobenzene by Gas-Phase X- Ray Scattering and Photoelectron Spectroscopy Peter Weber CV OA
2016 Mean field ring polymer molecular dynamics for electronically nonadiabatic reaction rates Nandini Ananth GS
2016 Non-adiabatic reactions: general discussion Nandini Ananth GS
2016 Proton-coupled electron transfer reactions: Analytical rate constants and case study of kinetic isotope effects in lipoxygenase Sharon Hammes-Schiffer CV GS
2014 Toward Structural Femtosecond Chemical Dynamics: Imaging Chemistry in Space and Time Peter Weber CV OA
2010 Relating dynamic protein interactions of metallochaperones with metal transfer at the single-molecule level Peng Chen GS
2009 Ultracold polar molecules near quantum degeneracy Kang-Kuen Ni CV GS
2001 Mapping the OH+ CO→ HOCO reaction pathway through IR spectroscopy of the OH–CO reactant complex Marsha I. Lester GS
2000 Spectroscopic observation of vibrational Feshbach resonances in near-threshold photoexcitation of X–CH3NO2 (X = I and Br) Mark Johnson CV OA
1998 Ab Initio and Monte Carlo Study of Solvent Effects on a 1,3-Dipolar Cycloaddition William Jorgensen CV OA
1998 Quantum dynamics of multiple modes for reactions in complex systems Sharon Hammes-Schiffer CV