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Ab Initio Studies of the Isomerization and Decomposition Reactions of the 1-Butoxy Radical

✍ Scribed by Lendvay, G.; Viskolcz, B.

Book ID
126396517
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
176 KB
Volume
102
Category
Article
ISSN
1089-5639

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Ab Initio Kinetics for Decomposition/Iso
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✍ Zhen Feng Xu; Kun Xu; Ming Chang Lin πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 466 KB

## Abstract Radical reactions: The ground‐state potential energy surface of the C~2~H~5~O system is investigated by ab initio methods using optimized geometries. The rate constants for the unimolecular isomerization and decomposition reactions of the three isomeric radicals (see picture) are calcul