A quasiclassical trajectory study of product energy and angular distributions for the OH+D2 reaction

Matthew J. Lakin, Diego Troya, György Lendvay, Miguel González, George C Schatz

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

The quasiclassical trajectory method was used to determine product energy disposal, vibrational state populations and angular distributions for the OH+D2→HOD+D reaction with WSLFH and OC potential energy surfaces (PES). Angular distributions and the trends with increasing translational energy and vibrationally exciting reagents were also presented. It was shown that both surfaces satisfactorily reproduces the measured average fraction of energy and HOD vibrational distributions.

Original languageEnglish
Pages (from-to)5160-5169
Number of pages10
JournalJournal of Chemical Physics
Volume115
Issue number11
DOIs
Publication statusPublished - Sep 15 2001

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Angular distribution
energy distribution
angular distribution
Trajectories
trajectories
Population distribution
Potential energy surfaces
products
disposal
vibrational states
reagents
energy
potential energy
trends

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

A quasiclassical trajectory study of product energy and angular distributions for the OH+D2 reaction. / Lakin, Matthew J.; Troya, Diego; Lendvay, György; González, Miguel; Schatz, George C.

In: Journal of Chemical Physics, Vol. 115, No. 11, 15.09.2001, p. 5160-5169.

Research output: Contribution to journalArticle

Lakin, Matthew J. ; Troya, Diego ; Lendvay, György ; González, Miguel ; Schatz, George C. / A quasiclassical trajectory study of product energy and angular distributions for the OH+D2 reaction. In: Journal of Chemical Physics. 2001 ; Vol. 115, No. 11. pp. 5160-5169.
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