Gregory Schenter
Gregory Schenter
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Reversible work transition state theory: application to dissociative adsorption of hydrogen
G Mills, H Jónsson, GK Schenter
Surface Science 324 (2-3), 305-337, 1995
CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations
TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ...
The Journal of Chemical Physics 152 (19), 194103, 2020
Role of water in electron-initiated processes and radical chemistry: Issues and scientific advances
BC Garrett, DA Dixon, DM Camaioni, DM Chipman, MA Johnson, ...
Chemical reviews 105 (1), 355-390, 2004
Reactor antineutrino spectra and their application to antineutrino-induced reactions. II
P Vogel, GK Schenter, FM Mann, RE Schenter
Physical Review C 24 (4), 1543, 1981
Excited states of the bacteriochlorophyll b dimer of Rhodopseudomonas viridis: a QM/MM study of the photosynthetic reaction center that includes MM polarization
MA Thompson, GK Schenter
The Journal of Physical Chemistry 99 (17), 6374-6386, 1995
Quantitatively probing the Al distribution in zeolites
A Vjunov, JL Fulton, T Huthwelker, S Pin, D Mei, GK Schenter, N Govind, ...
Journal of the American Chemical Society 136 (23), 8296-8306, 2014
Understanding the surface potential of water
SM Kathmann, IFW Kuo, CJ Mundy, GK Schenter
The Journal of Physical Chemistry B 115 (15), 4369-4377, 2011
Statistical analyses and theoretical models of single-molecule enzymatic dynamics
GK Schenter, HP Lu, XS Xie
The Journal of Physical Chemistry A 103 (49), 10477-10488, 1999
Molecular simulations of the transport of molecules across the liquid/vapor interface of water
BC Garrett, GK Schenter, A Morita
Chemical reviews 106 (4), 1355-1374, 2006
Dynamical nucleation theory: A new molecular approach to vapor-liquid nucleation
GK Schenter, SM Kathmann, BC Garrett
Physical review letters 82 (17), 3484, 1999
Natural energy decomposition analysis: The linear response electrical self energy
GK Schenter, ED Glendening
The Journal of Physical Chemistry 100 (43), 17152-17156, 1996
Molecular Simulation Analysis and X-ray Absorption Measurement of Ca2+, K+ and Cl- Ions in Solution
LX Dang, GK Schenter, VA Glezakou, JL Fulton
The Journal of Physical Chemistry B 110 (47), 23644-23654, 2006
Structure and dynamics of the water/MgO interface
MI McCarthy, GK Schenter, CA Scamehorn, JB Nicholas
The Journal of Physical Chemistry 100 (42), 16989-16995, 1996
Generalized path integral based quantum transition state theory
G Mills, GK Schenter, DE Makarov, H Jónsson
Chemical Physics Letters 278 (1-3), 91-96, 1997
Generalized transition state theory in terms of the potential of mean force
GK Schenter, BC Garrett, DG Truhlar
The Journal of chemical physics 119 (12), 5828-5833, 2003
Spectroscopic studies of the phase transition in ammonia borane: Raman spectroscopy of single crystal as a function of temperature from
NJ Hess, ME Bowden, VM Parvanov, C Mundy, SM Kathmann, ...
The Journal of chemical physics 128 (3), 034508, 2008
Supersaturated calcium carbonate solutions are classical
K Henzler, EO Fetisov, M Galib, MD Baer, BA Legg, C Borca, JM Xto, ...
Science advances 4 (1), eaao6283, 2018
Equatorial and apical solvent shells of the ion
P Nichols, EJ Bylaska, GK Schenter, W de Jong
The journal of chemical physics 128 (12), 124507, 2008
Revisiting the hydration structure of aqueous Na+
M Galib, MD Baer, LB Skinner, CJ Mundy, T Huthwelker, GK Schenter, ...
The Journal of chemical physics 146 (8), 084504, 2017
Structure and dynamics of the hydration shells of the ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics …
E Cauët, S Bogatko, JH Weare, JL Fulton, GK Schenter, EJ Bylaska
The Journal of chemical physics 132 (19), 194502, 2010
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