| 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 | 2505 | 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 | 2440 | 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 | 714 | 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 | 430 | 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 | 369 | 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 | 242 | 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 | 204 | 2011 |
| 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 | 173 | 2006 |
| 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 | 169 | 1999 |
| Dynamical nucleation theory: A new molecular approach to vapor-liquid nucleation GK Schenter, SM Kathmann, BC Garrett Physical review letters 82 (17), 3484, 1999 | 167 | 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 | 157 | 1996 |
| 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 | 153 | 2018 |
| 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 | 148 | 2006 |
| 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 | 136 | 2017 |
| 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 | 136 | 2003 |
| 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 | 135 | 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 | 132 | 1996 |
| 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 | 127 | 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 | 115 | 2010 |
| 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 | 107 | 2008 |
