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

George C Schatz, Henry Elgersma

Research output: Contribution to journal › Article

248 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 languageEnglish
Pages (from-to)21-25
Number of pages5
JournalChemical Physics Letters
Volume73
Issue number1
DOIs
Publication statusPublished - Jan 1 1980

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vibration mode
perturbation theory
Trajectories
trajectories
products
excitation

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction. / Schatz, George C; Elgersma, Henry.

In: Chemical Physics Letters, Vol. 73, No. 1, 01.01.1980, p. 21-25.

Research output: Contribution to journal › Article

Schatz, GC & Elgersma, H 1980, 'A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction', Chemical Physics Letters, vol. 73, no. 1, pp. 21-25. https://doi.org/10.1016/0009-2614(80)85193-1
Schatz GC, Elgersma H. A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction. Chemical Physics Letters. 1980 Jan 1;73(1):21-25. https://doi.org/10.1016/0009-2614(80)85193-1
Schatz, George C ; Elgersma, Henry. / A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction. In: Chemical Physics Letters. 1980 ; Vol. 73, No. 1. pp. 21-25.
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