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 | 208 | 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 | 89 | 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 | 65 | 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 | 59 | 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 | 44 | 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 | 36 | 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 | 25 | 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 |