Modification of the Duchovic–Hase–Schlegel potential energy function for H+CH3↔CH4. Comparison of canonical variational transition state theory, trajectory, and experimental association rate constants-Reference-Cited by-同舟云学术

Modification of the Duchovic–Hase–Schlegel potential energy function for H+CH3↔CH4. Comparison of canonical variational transition state theory, trajectory, and experimental association rate constants

Published:1991-12 Issue:11 Volume:95 Page:8073-8082
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Hu Xiche,Hase William L.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.461288

Reference56 articles.

1. Analytic function for the atomic hydrogen + methyl .dblarw. methane (H + CH3 .dblarw. CH4) potential energy surface

2. A dynamical study of the H+CH3→CH4 recombination reaction

3. A dynamical study of the H+CH3→CH4 recombination reaction

4. Thermal rate constant for hydrogen atom + methyl radical .fwdarw. methane recombination. 3. Comparison of experiment and canonical variational transition state theory

5. Thermal rate constant for H+CH3 → CH4 recombination. Comparison of quasiclassical trajectory and variational transition state theory

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