A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction

George C Schatz; Henry Elgersma

doi:10.1016/0009-2614(80)85193-1

A quasi-classical trajectory study of product vibrational distributions in the OH + H₂ → H₂O + H reaction

George C Schatz, Henry Elgersma

Northwestern University

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

251 Citations (Scopus)

Abstract

Product H₂O vibrational distributions are calculated for the OH + H₂ reaction using a fitted ab initio potential surface and a classical perturbation theory method to determine vibrational good action variables. Substantial excitation in all vibrational modes is found.

Original language	English
Pages (from-to)	21-25
Number of pages	5
Journal	Chemical Physics Letters
Volume	73
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(80)85193-1
Publication status	Published - Jan 1 1980

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/0009-2614(80)85193-1

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abstract = "Product H2O vibrational distributions are calculated for the OH + H2 reaction using a fitted ab initio potential surface and a classical perturbation theory method to determine vibrational good action variables. Substantial excitation in all vibrational modes is found.",

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