Comparative study of the reaction dynamics of the O(/sup 3/P)+H/sub 2/. -->. OH+H reaction on several potential energy surfaces. III. Collinear exact quantum transmission coefficient correction to transition state theory

Lee, K T; Bowman, J M; Wagner, A F; Schatz, G C

Title: Comparative study of the reaction dynamics of the O(/sup 3/P)+H/sub 2/. -->. OH+H reaction on several potential energy surfaces. III. Collinear exact quantum transmission coefficient correction to transition state theory

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Abstract

Collinear exact quantum and quasiclassical rate constants and transmission coefficients are presented for the O(/sup 3/P)+H/sub 2/ (..nu..), ..nu.. = 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.

Authors:: Lee, K T; Bowman, J M; Wagner, A F; Schatz, G C

Publication Date:: Thu Apr 01 00:00:00 EST 1982

Research Org.:: Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616

OSTI Identifier:: 5658704

DOE Contract Number:: W-31-109-ENG-38

Resource Type:: Journal Article

Journal Name:: J. Chem. Phys.; (United States)

Additional Journal Information:: Journal Volume: 76:7

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; HYDROGEN; CHEMICAL REACTION KINETICS; OXYGEN; CHEMICAL REACTIONS; COMBUSTION; POTENTIAL ENERGY; PROBABILITY; ELEMENTS; ENERGY; KINETICS; NONMETALS; OXIDATION; REACTION KINETICS; THERMOCHEMICAL PROCESSES; 400201* - Chemical & Physicochemical Properties

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                    Lee, K T, Bowman, J M, Wagner, A F, and Schatz, G C. Comparative study of the reaction dynamics of the O(/sup 3/P)+H/sub 2/. -->. OH+H reaction on several potential energy surfaces. III. Collinear exact quantum transmission coefficient correction to transition state theory.  United States: N. p., 1982. 
        Web.

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                    Lee, K T, Bowman, J M, Wagner, A F, & Schatz, G C. Comparative study of the reaction dynamics of the O(/sup 3/P)+H/sub 2/. -->. OH+H reaction on several potential energy surfaces. III. Collinear exact quantum transmission coefficient correction to transition state theory.  United States.

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                    Lee, K T, Bowman, J M, Wagner, A F, and Schatz, G C. 1982.  
        "Comparative study of the reaction dynamics of the O(/sup 3/P)+H/sub 2/. -->. OH+H reaction on several potential energy surfaces. III. Collinear exact quantum transmission coefficient correction to transition state theory".  United States.

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@article{osti_5658704,

  title        = {Comparative study of the reaction dynamics of the O(/sup 3/P)+H/sub 2/. -->. OH+H reaction on several potential energy surfaces. III. Collinear exact quantum transmission coefficient correction to transition state theory},

  author       = {Lee, K T and Bowman, J M and Wagner, A F and Schatz, G C},

  abstractNote = {Collinear exact quantum and quasiclassical rate constants and transmission coefficients are presented for the O(/sup 3/P)+H/sub 2/ (..nu..), ..nu.. = 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.},

  doi          = {},

  url          = {https://www.osti.gov/biblio/5658704},
  journal      = {J. Chem. Phys.; (United States)},
number       = ,

  volume       = 76:7,

  place        = {United States},

  year         = {Thu Apr 01 00:00:00 EST 1982},

  month        = {Thu Apr 01 00:00:00 EST 1982}

}

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