A reaction-path Hamiltonian described with quasirectilinear vibrational coordinates constructed from a nonlinear combination of curvilinear internal coordinates: Application to examination of the reaction CH4+F→CH3+HF-Reference-Cited by-同舟云学术

A reaction-path Hamiltonian described with quasirectilinear vibrational coordinates constructed from a nonlinear combination of curvilinear internal coordinates: Application to examination of the reaction CH4+F→CH3+HF

Published:2000-08-22 Issue:8 Volume:113 Page:3136-3140
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Okuno Yoshishige,Yokoyama Shiyoshi,Mashiko Shinro

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1287279

Reference18 articles.

1. A reaction-path Hamiltonian described with quasirectilinear vibrational coordinates constructed from a nonlinear combination of curvilinear internal coordinates: Formulation

2. The path of chemical reactions - the IRC approach

3. Reaction path Hamiltonian for polyatomic molecules

4. Reaction‐path potential and vibrational frequencies in terms of curvilinear internal coordinates

5. Theoretical study of the CH4+F→CH3+FH reaction. I. Ab initio reaction path

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