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

^*Corresponding author for this work

Chemistry

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

256 Scopus citations

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 (US)
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
State	Published - 1980

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(80)85193-1

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

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.",

author = "Schatz, {George C.} and Henry Elgersma",

year = "1980",

doi = "10.1016/0009-2614(80)85193-1",

language = "English (US)",

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pages = "21--25",

journal = "Chemical Physics Letters",

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T1 - A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction

AU - Schatz, George C.

AU - Elgersma, Henry

PY - 1980

Y1 - 1980

N2 - 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.

AB - 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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U2 - 10.1016/0009-2614(80)85193-1

DO - 10.1016/0009-2614(80)85193-1

M3 - Article

AN - SCOPUS:78751483165

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EP - 25

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1

ER -

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

Abstract

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