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Ahren Jasper
Ahren Jasper
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Cited by
Cited by
Year
Coherent switching with decay of mixing: an improved treatment of electronic coherence for non-Born–Oppenheimer trajectories
C Zhu, S Nangia, AW Jasper, DG Truhlar
The Journal of chemical physics 121 (16), 7658-7670, 2004
3162004
Kinetics of the reaction of methyl radical with hydroxyl radical and methanol decomposition
AW Jasper, SJ Klippenstein, LB Harding, B Ruscic
The Journal of Physical Chemistry A 111 (19), 3932-3950, 2007
2302007
Introductory lecture: Nonadiabatic effects in chemical dynamics
AW Jasper, C Zhu, S Nangia, DG Truhlar
Faraday Discussions 127, 1-22, 2004
2122004
Non-born− oppenheimer molecular dynamics
AW Jasper, S Nangia, C Zhu, DG Truhlar
Accounts of chemical research 39 (2), 101-108, 2006
2082006
Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions
AW Jasper, SN Stechmann, DG Truhlar
The Journal of chemical physics 116 (13), 5424-5431, 2002
1812002
Ab initio methods for reactive potential surfaces
LB Harding, SJ Klippenstein, AW Jasper
Physical Chemistry Chemical Physics 9 (31), 4055-4070, 2007
1762007
Non-Born–Oppenheimer trajectories with self-consistent decay of mixing
C Zhu, AW Jasper, DG Truhlar
The Journal of chemical physics 120 (12), 5543-5557, 2004
1662004
Lennard–Jones parameters for combustion and chemical kinetics modeling from full-dimensional intermolecular potentials
AW Jasper, JA Miller
Combustion and flame 161 (1), 101-110, 2014
1642014
Predictive a priori pressure-dependent kinetics
AW Jasper, KM Pelzer, JA Miller, E Kamarchik, LB Harding, ...
Science 346 (6214), 1212-1215, 2014
1582014
The reaction between propene and hydroxyl
J Zádor, AW Jasper, JA Miller
Physical Chemistry Chemical Physics 11 (46), 11040-11053, 2009
1572009
Detection and Identification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether
K Moshammer, AW Jasper, DM Popolan-Vaida, A Lucassen, P Diévart, ...
The Journal of Physical Chemistry A 119 (28), 7361-7374, 2015
1392015
Theoretical Unimolecular Kinetics for CH4 + M ⇄ CH3 + H + M in Eight Baths, M = He, Ne, Ar, Kr, H2, N2, CO, and CH4
AW Jasper, JA Miller
The Journal of Physical Chemistry A 115 (24), 6438-6455, 2011
1392011
Non-Born-Oppenheimer Liouville-von Neumann dynamics. Evolution of a subsystem controlled by linear and population-driven decay of mixing with decoherent and coherent switching
C Zhu, AW Jasper, DG Truhlar
Journal of chemical theory and computation 1 (4), 527-540, 2005
1382005
Temperature-and pressure-dependent rate coefficients for the HACA pathways from benzene to naphthalene
AM Mebel, Y Georgievskii, AW Jasper, SJ Klippenstein
Proceedings of the Combustion Institute 36 (1), 919-926, 2017
1162017
Improved treatment of momentum at classically forbidden electronic transitions in trajectory surface hopping calculations
AW Jasper, DG Truhlar
Chemical physics letters 369 (1-2), 60-67, 2003
1102003
Quantum Mechanical and Quasiclassical Trajectory Surface Hopping Studies of the Electronically Nonadiabatic Predissociation of the Ă State of NaH2
MD Hack, AW Jasper, YL Volobuev, DW Schwenke, DG Truhlar
The Journal of Physical Chemistry A 103 (32), 6309-6326, 1999
1071999
Hydrogen-assisted isomerizations of fulvene to benzene and of larger cyclic aromatic hydrocarbons
AW Jasper, N Hansen
Proceedings of the Combustion Institute 34 (1), 279-287, 2013
1052013
Theoretical rate coefficients for the reaction of methyl radical with hydroperoxyl radical and for methylhydroperoxide decomposition
AW Jasper, SJ Klippenstein, LB Harding
Proceedings of the combustion institute 32 (1), 279-286, 2009
1052009
Roaming radicals in the thermal decomposition of dimethyl ether: Experiment and theory
R Sivaramakrishnan, JV Michael, AF Wagner, R Dawes, AW Jasper, ...
Combustion and Flame 158 (4), 618-632, 2011
1042011
The treatment of classically forbidden electronic transitions in semiclassical trajectory surface hopping calculations
AW Jasper, MD Hack, DG Truhlar
The Journal of Chemical Physics 115 (4), 1804-1816, 2001
1042001
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Articles 1–20