- Author
-
Adams, G. F.
- Title
- Competing Unimolecular Reactions of Flame Radicals. Part 1. Isomerization and Dissociation of the Methoxy Radical.
- Coporate
- Army Ballistic Research Lab., Aberdeen Proving Ground, MD
- Report
-
BRL-TR-2692
November 1985
31 p.
- Keywords
-
unimolecular reactions
|
radicals
- Abstract
- Ab initio electronic structure calculations provide chemical energy differences necessary for statistical mechanical rate coefficient estimates. We report the results of many-body perturbation theory results for two unimolecular reactions of the methoxy radical. Rate coefficient estimtes for the dissociation (H-atom scission), and isomerization (1,2-hydrogen shift) reactions infer that these reactions compete at high temperatures.