The D+ + H-2 Reaction: Differential and Integral Cross Sections at Low Energy and Rate Constants at Low Temperature

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TitreThe D+ + H-2 Reaction: Differential and Integral Cross Sections at Low Energy and Rate Constants at Low Temperature
Type de publicationJournal Article
Year of Publication2014
AuteursGonzalez-Lezana T, Scribano Y, Honvault P
JournalJOURNAL OF PHYSICAL CHEMISTRY A
Volume118
Pagination6416-6424
Date PublishedAUG 21
Type of ArticleArticle
ISSN1089-5639
Résumé

The D+ + H-2 reaction is investigated by means of a time independent quantum mechanical (TIQM) and statistical quantum mechanical (SQM) methods. Differential cross sections and product rotational distributions obtained with these two theoretical approaches for collision energies between 1 meV and 0.1 eV are compared to analyze the dynamics of the process. The agreement observed between the TIQM differential cross sections and the SQM predictions as the energy increases revealed the role played by the complex-forming mechanism. The importance of a good description of the asymptotic regions is also investigated by calculating rate constants for the title reaction at low temperature.

DOI10.1021/jp501446y