A comparative study of the reaction dynamics of the O(3P)+H 2→OH+H reaction on several potential energy surfaces. III. Collinear exact quantum transmission coefficient correction to transition state theory

Ki Tung Lee, Joel M. Bowman, Albert F. Wagner, George C. Schatz

Research output: Contribution to journalArticle

33 Citations (Scopus)

Abstract

Collinear exact quantum and quasiclassical rate constants and transmission coefficients are presented for the O(3P)+H2(ν), ν=0,1 reaction, using the quantum and quasiclassical trajectory reaction probabilities calculated in the preceding paper and by Clary, et al. [D. C. Clary, J. N. L. Connor, and C. J. Edge, Chem. Phys. Lett. 68, 154 (1979)] on a total of five potential energy surfaces.

Original languageEnglish
Pages (from-to)3583-3596
Number of pages14
JournalThe Journal of Chemical Physics
Volume76
Issue number7
DOIs
Publication statusPublished - 1982

ASJC Scopus subject areas

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

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