Jason Quenneville
Jason Quenneville
Spectral Sciences, Inc.
Verified email at spectral.com - Homepage
Title
Cited by
Cited by
Year
Ab initio multiple spawning: Photochemistry from first principles quantum molecular dynamics
M Ben-Nun, J Quenneville, TJ Martínez
The Journal of Physical Chemistry A 104 (22), 5161-5175, 2000
6552000
Conical intersections and double excitations in time-dependent density functional theory
BG Levine, C Ko, J Quenneville, TJ MartÍnez
Molecular Physics 104 (5-7), 1039-1051, 2006
4832006
Mechanism and dynamics of azobenzene photoisomerization
T Schultz, J Quenneville, B Levine, A Toniolo, TJ Martínez, S Lochbrunner, ...
Journal of the American Chemical Society 125 (27), 8098-8099, 2003
3122003
Ab initio study of cis− trans photoisomerization in stilbene and ethylene
J Quenneville, TJ Martinez
The Journal of Physical Chemistry A 107 (6), 829-837, 2003
2682003
Quantum Energy Flow and trans-Stilbene Photoisomerization:  an Example of a Non-RRKM Reaction
DM Leitner, B Levine, J Quenneville, TJ Martínez, PG Wolynes
The Journal of Physical Chemistry A 107 (49), 10706-10716, 2003
1022003
Electronic structure of solid 1, 3, 5-triamino-2, 4, 6-trinitrobenzene under uniaxial compression: Possible role of pressure-induced metallization in energetic materials
CJ Wu, LH Yang, LE Fried, J Quenneville, TJ Martinez
Physical Review B 67 (23), 235101, 2003
952003
DFT/Electrostatic Calculations of pKa Values in Cytochrome c Oxidase
DM Popović, J Quenneville, AA Stuchebrukhov
The Journal of Physical Chemistry B 109 (8), 3616-3626, 2005
642005
Photochemistry from first principles—advances and future prospects
J Quenneville, M Ben-Nun, TJ Martınez
Journal of Photochemistry and Photobiology A: Chemistry 144 (2-3), 229-235, 2001
632001
Combined DFT and electrostatics study of the proton pumping mechanism in cytochrome c oxidase
J Quenneville, DM Popović, AA Stuchebrukhov
Biochimica et Biophysica Acta (BBA)-Bioenergetics 1757 (8), 1035-1046, 2006
622006
Reactive molecular dynamics studies of DMMP adsorption and reactivity on amorphous silica surfaces
J Quenneville, RS Taylor, ACT van Duin
The Journal of Physical Chemistry C 114 (44), 18894-18902, 2010
602010
Redox-Dependent pKa of CuB Histidine Ligand in Cytochrome c Oxidase
J Quenneville, DM Popović, AA Stuchebrukhov
The Journal of Physical Chemistry B 108 (47), 18383-18389, 2004
432004
Anharmonic vibrational properties of explosives from temperature-dependent Raman
SD McGrane, J Barber, J Quenneville
The Journal of Physical Chemistry A 109 (44), 9919-9927, 2005
372005
Quantum chemistry studies of electronically excited nitrobenzene, TNA, and TNT
J Quenneville, M Greenfield, DS Moore, SD McGrane, RJ Scharff
The Journal of Physical Chemistry A 115 (44), 12286-12297, 2011
322011
A quantum chemistry study of Diels–Alder dimerizations in benzene and anthracene
J Quenneville, TC Germann
The Journal of chemical physics 131 (2), 024313, 2009
182009
Large-scale molecular dynamics simulations of particulate ejection and Richtmyer-Meshkov instability development in shocked copper
TC Germann, G Dimonte, JE Hammerberg, K Kadau, J Quenneville, ...
DYMAT 2009, 1499-1505, 2009
162009
Vibrational spectrum, ab initio calculations, conformational equilibria and torsional modes of 1, 3-dichloropropane
DJ Duffy, J Quenneville, TM Baumbaugh, SA Kitchener, RK McCormick, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 60 (3 …, 2004
92004
Photochemistry from first principles and direct dynamics
A Toniolo, B Levine, A Thompson, J Quenneville, M Ben-Nun, J Owens, ...
Molecular and Supramolecular Photochemistry 13, 167, 2005
82005
Molecular dynamics studies of thermal induced chemistry in TATB
J Quenneville, TC Germann, AP Thompson, EM Kober
AIP Conference Proceedings 955 (1), 451-454, 2007
72007
Simulation framework for space environment ground test fidelity
JA Cline, J Quenneville, RS Taylor, T Deschenes, M Braunstein, H Legner, ...
Nanophotonics and Macrophotonics for Space Environments VII 8876, 88760R, 2013
42013
Theoretical Studies on the Reaction Pathways of Electronically Excited DAAF
J Quenneville, DS Moore
AIP Conference Proceedings 1195 (1), 1305-1308, 2009
32009
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Articles 1–20