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

doi:10.1063/1.1394218

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

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

21 Scopus citations

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 language	English (US)
Pages (from-to)	5160-5169
Number of pages	10
Journal	Journal of Chemical Physics
Volume	115
Issue number	11
DOIs	https://doi.org/10.1063/1.1394218
State	Published - Sep 15 2001

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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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.",

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AU - Troya, Diego

AU - Lendvay, György

AU - González, Miguel

AU - Schatz, George C.

PY - 2001/9/15

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N2 - 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.

AB - 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.

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

Abstract

ASJC Scopus subject areas

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