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), 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
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
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
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 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
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), 2017
Spectroscopic studies of the phase transition in ammonia borane: Raman spectroscopy of single crystal NH3BH3 as a function of temperature from 88to330K
NJ Hess, ME Bowden, VM Parvanov, C Mundy, SM Kathmann, ...
The Journal of chemical physics 128 (3), 2008
Equatorial and apical solvent shells of the UO22+ ion
P Nichols, EJ Bylaska, GK Schenter, W de Jong
The journal of chemical physics 128 (12), 2008
Structure and dynamics of the hydration shells of the Zn2+ ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations
E Cauët, S Bogatko, JH Weare, JL Fulton, GK Schenter, EJ Bylaska
The Journal of chemical physics 132 (19), 2010
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