Quasi-classical dynamics calculations and state-selected rate coefficientsfor H+H-2(upsilon,j)-> 3H processes: application to the global dissociation rate under thermal conditions

Authors
Esposito, F Gorse, C Capitelli, M
Citation
F. Esposito et al., Quasi-classical dynamics calculations and state-selected rate coefficientsfor H+H-2(upsilon,j)-> 3H processes: application to the global dissociation rate under thermal conditions, CHEM P LETT, 303(5-6), 1999, pp. 636-640
Citations number
26
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
303
Issue
5-6
Year of publication
1999
Pages
636 - 640
Database
ISI
SICI code
0009-2614(19990416)303:5-6<636:QDCASR>2.0.ZU;2-9
Abstract
The quasi-classical trajectory method has been applied to the calculation o f a complete set of cross-sections for the H + H-2(upsilon,j) --> 3H proces ses, using the LSTH potential energy surface. The results have been used to get the global dissociation rate of molecular hydrogen induced by atomic h ydrogen, obtaining good agreement with experimental results. (C) 1999 Elsev ier Science B.V. All rights reserved.