%0 Journal Article
%T State-to-state quasi-classical trajectory study of the D + H$_2$ collision for high temperature astrophysical applications
%+ Laboratoire Univers et Particules de Montpellier (LUPM)
%+ Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM)
%A Bossion, Duncan
%A Scribano, Yohann
%A Parlant, Gerard
%< avec comité de lecture
%Z LUPM:18-051
%@ 0021-9606
%J Journal of Chemical Physics
%I American Institute of Physics
%V 150
%P 084301
%8 2019-02-22
%D 2019
%R 10.1063/1.5082158
%Z Physics [physics]/Quantum Physics [quant-ph]
%Z Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus]
%Z Physics [physics]/Physics [physics]/Computational Physics [physics.comp-ph]
%Z Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]Journal articles
%X We report state-to-state quasi-classical trajectory (QCT) rate constants for the D + H2 reactive collision,using the accurate H3 global potential energy surface of Mielke et al. [J. Chem. Phys. 116, 4142 (2002)].High relative collision energies (up to 56; 000 K) and high rovibrational levels of H2 (up to 50; 000 K),relevant to various astrophysical media, are considered. The HD product molecule is formed in highly excitedrovibrational states, over a wide collision energy range. The collision-induced dissociation channel (oftenoverlooked in fully quantum reaction dynamics calculations) is found to be significantly populated, even atcollision energies as low as 1500 K
%G English
%L hal-01928082
%U https://hal.science/hal-01928082
%~ IN2P3
%~ CNRS
%~ ENSC-MONTPELLIER
%~ ICG
%~ LUPM
%~ INC-CNRS
%~ CHIMIE
%~ UNIV-MONTPELLIER
%~ LUPM_AS
%~ TEST-HALCNRS
%~ UM-2015-2021