Reaction path curvature effects in the isomerization of the methoxy radical
- 1 February 1985
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 82 (3), 1281-1290
- https://doi.org/10.1063/1.448450
Abstract
The reaction path Hamiltonian is used to investigate the isomerization CH3O→CH2OH, the reaction path and necessary properties being determined by ab initio methods. In this paper a careful analysis of the effects of the curvature of the path on the temperature dependent rate constants is presented; curvature affects the log of these rate constants by about 5%.Keywords
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