Variational transition state theory calculations of the reaction rates of F with H2, D2, and HD and the intermolecular and intramolecular kinetic isotope effects-Reference-Cited by-同舟云学术

Variational transition state theory calculations of the reaction rates of F with H2, D2, and HD and the intermolecular and intramolecular kinetic isotope effects

Published:1985-06-15 Issue:12 Volume:82 Page:5499-5505
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Steckler Rozeanne,Truhlar Donald G.,Garrett Bruce C.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.448585

Reference29 articles.

1. Experimental Investigation of Resonances in Reactive Scattering: The F +H2Reaction

2. Ab initio calculation of reaction energies. III. Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces

3. An improved potential energy surface for F+H2→HF+H and H+H′F→HF+H′

4. Potential Energy Surface Including Electron Correlation for the Chemical F + H2 → FH + H I. Preliminary Surface

5. The temperature dependence of absolute rate constants for the F+H2 and F+D2 reactions

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