Combined valence bond-molecular mechanics potential-energy surface and direct dynamics study of rate constants and kinetic isotope effects for the H+C2H6 reaction-Reference-Cited by-同舟云学术

Combined valence bond-molecular mechanics potential-energy surface and direct dynamics study of rate constants and kinetic isotope effects for the H+C2H6 reaction

Published:2006-01-28 Issue:4 Volume:124 Page:044315
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Chakraborty Arindam,Zhao Yan,Lin Hai,Truhlar Donald G.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2132276

Reference141 articles.

1. Theoretical Pre‐Exponential Factors for Twelve Bimolecular Reactions

2. Large Tunnelling Corrections in Chemical Reaction Rates

3. Thermochemical kinetic analysis of tunneling and the incorporation of tunneling contributions in thermochemical kinetics

4. The Reactions of Deuterium Atoms with Methane and Ethane

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