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The Journal of Physical Chemistry. B|November 28, 2006
Quantum dynamics of the H + O2 --> O + OH reaction on an accurate ab initio potential energy surfaceShi Ying Lin, Hua Guo, Pascal Honvault, et al.
Physical Chemistry Chemical Physics : PCCP|July 17, 2009
Study of the C(3P) + OH(X2Pi) --> CO(a3Pi) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A'' and 14A'' excited states and non adiabatic couplingsAlexandre Zanchet, Béatrice Bussery-Honvault, Mohamed Jorfi, et al.
The Journal of Chemical Physics|May 16, 2012
Full dimension Rb2He ground triplet potential energy surface and quantum scattering calculationsGrégoire Guillon, Alexandra Viel, Jean-Michel Launay
The Journal of Chemical Physics|May 17, 2013
On the origin and convergence of a Post-Quantization Constrained propagator for path integral simulations of rigid bodiesGrégoire Guillon, Tao Zeng, Pierre-Nicholas Roy
The Journal of Chemical Physics|September 26, 2009
Born-Oppenheimer quantum dynamics of the C((1)D)+H(2) reaction on the CH(2) ã (1)A(1) and b (1)B(1) surfacesPaolo Defazio, Carlo Petrongolo, Béatrice Bussery-Honvault, et al.
The Journal of Chemical Physics|September 29, 2011
Nonadiabatic quantum dynamics of C(1D)+H2→CH+H: coupled-channel calculations including Renner-Teller and Coriolis termsPaolo Defazio, Béatrice Bussery-Honvault, Pascal Honvault, et al.
The Journal of Physical Chemistry. A|June 6, 2007
Differential and integral cross sections for the H + O2 --> OH + O combustion reactionPascal Honvault, Shi Ying Lin, Daiqian Xie, et al.
The Journal of Chemical Physics|June 3, 2008
Differential cross sections and product energy distributions for the C(3P)+OH(X 2Pi)-->CO(X 1Sigma+)+H(2S) reaction using a quasiclassical trajectory methodAlexandre Zanchet, Philippe Halvick, Béatrice Bussery-Honvault, et al.
Physical Chemistry Chemical Physics : PCCP|October 1, 2009
Global 1 1A" potential energy surface of CH2 and quantum dynamics of a sideways insertion mechanism for the C(1D) + H2 --> CH(2pi) + H reactionBéatrice Bussery-Honvault, Jérôme Julien, Pascal Honvault, et al.
The Journal of Chemical Physics|September 24, 2015
Low temperature rate coefficients of the H + CH(+) → C(+) + H2 reaction: New potential energy surface and time-independent quantum scatteringGhofran Werfelli, Philippe Halvick, Pascal Honvault, et al.
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