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

Northwestern University

Research output: Contribution to journal › Article

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 language	English
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
Publication status	Published - Sep 15 2001

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ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics

Cite this

Lakin, M. J., Troya, D., Lendvay, G., González, M., & Schatz, G. C. (2001). A quasiclassical trajectory study of product energy and angular distributions for the OH+D₂ reaction. Journal of Chemical Physics, 115(11), 5160-5169. https://doi.org/10.1063/1.1394218

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10.1063/1.1394218