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

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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
JournalJournal of Chemical Physics
Volume76
Issue number7
Publication statusPublished - 1982

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Potential energy surfaces
Rate constants
potential energy
Trajectories
coefficients
trajectories

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

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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.",
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AU - Wagner, Albert F.

AU - Schatz, George C

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AB - 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.

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