Analytical potential energy surface for the CH4+Cl→CH3+ClH reaction: Application of the variational transition state theory and analysis of the kinetic isotope effects-Reference-Cited by-同舟云学术

Analytical potential energy surface for the CH4+Cl→CH3+ClH reaction: Application of the variational transition state theory and analysis of the kinetic isotope effects

Published:1996-09 Issue:9 Volume:105 Page:3517-3523
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Espinosa‐García J.,Corchado J. C.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.472219

Reference36 articles.

1. A new potential energy surface for the CH3+H2↔CH4+H reaction: Calibration and calculations of rate constants and kinetic isotope effects by variational transition state theory and semiclassical tunneling calculations

2. Theoretical study of the CH4+F→CH3+FH reaction. II. Semiempirical surfaces

3. Ab initio reaction paths and direct dynamics calculations

4. Ab initio reaction paths and direct dynamics calculations

5. Chlorofluoromethanes in the environment

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