Does the hydrated electron occupy a cavity? RE Larsen, WJ Glover, BJ Schwartz
Science 329 (5987), 65-69, 2010
262 2010 Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics DV Makhov, WJ Glover, TJ Martinez, DV Shalashilin
The Journal of chemical physics 141 (5), 2014
204 2014 Role of Rydberg states in the photochemical dynamics of ethylene T Mori, WJ Glover, MS Schuurman, TJ Martinez
The Journal of Physical Chemistry A 116 (11), 2808-2818, 2012
149 2012 Response to comments on “Does the hydrated electron occupy a cavity?” RE Larsen, WJ Glover, BJ Schwartz
Science 331 (6023), 1387-1387, 2011
117 2011 Raman spectra of ionic liquids: A simulation study of and its mixtures with alkali chlorides WJ Glover, PA Madden
The Journal of chemical physics 121 (15), 7293-7303, 2004
95 2004 Ultrafast internal conversion in ethylene. II. Mechanisms and pathways for quenching and hydrogen elimination TK Allison, H Tao, WJ Glover, TW Wright, AM Stooke, C Khurmi, ...
The Journal of chemical physics 136 (12), 2012
88 2012 The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: single− excitation configuration … IA Shkrob, WJ Glover, RE Larsen, BJ Schwartz
The Journal of Physical Chemistry A 111 (24), 5232-5243, 2007
70 2007 Between ethylene and polyenes-the non-adiabatic dynamics of cis-dienes TS Kuhlman, WJ Glover, T Mori, KB Møller, TJ Martínez
Faraday discussions 157, 193-212, 2012
63 2012 Excited state non-adiabatic dynamics of the smallest polyene, trans 1, 3-butadiene. II. Ab initio multiple spawning simulations WJ Glover, T Mori, MS Schuurman, AE Boguslavskiy, O Schalk, A Stolow, ...
The Journal of chemical physics 148 (16), 2018
58 2018 A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory CJ Smallwood, RE Larsen, WJ Glover, BJ Schwartz
The Journal of chemical physics 125 (7), 2006
54 2006 Excited state non-adiabatic dynamics of the smallest polyene, trans 1, 3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy AE Boguslavskiy, O Schalk, N Gador, WJ Glover, T Mori, T Schultz, ...
The Journal of chemical physics 148 (16), 2018
43 2018 Free energies of cavity and noncavity hydrated electrons near the instantaneous air/water interface JR Casey, BJ Schwartz, WJ Glover
The journal of physical chemistry letters 7 (16), 3192-3198, 2016
42 2016 Short-range electron correlation stabilizes noncavity solvation of the hydrated electron WJ Glover, BJ Schwartz
Journal of chemical theory and computation 12 (10), 5117-5131, 2016
35 2016 The roles of electronic exchange and correlation in charge-transfer-to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium … WJ Glover, RE Larsen, BJ Schwartz
The Journal of chemical physics 129 (16), 2008
32 2008 Fragment quantum mechanical method for excited states of proteins: Development and application to the green fluorescent protein X Jin, WJ Glover, X He
Journal of Chemical Theory and Computation 16 (8), 5174-5188, 2020
31 2020 Comparison of S, Pt, and Hf adsorption on NiAl (1 1 0) KM Carling, W Glover, H Gunaydin, TA Mitchell, EA Carter
Surface science 600 (10), 2079-2090, 2006
31 2006 Temperature dependence of the hydrated electron’s excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity … CC Zho, EP Farr, WJ Glover, BJ Schwartz
The Journal of chemical physics 147 (7), 2017
30 2017 First principles multielectron mixed quantum/classical simulations in the condensed phase. I. An efficient Fourier-grid method for solving the many-electron problem WJ Glover, RE Larsen, BJ Schwartz
The Journal of chemical physics 132 (14), 2010
27 2010 Nature of Sodium Atoms/(Na+ , e− ) Contact Pairs in Liquid Tetrahydrofuran WJ Glover, RE Larsen, BJ Schwartz
The Journal of Physical Chemistry B 114 (35), 11535-11543, 2010
24 2010 Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field WJ Glover
The Journal of Chemical Physics 141 (17), 2014
23 2014