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Theoretical study of the complex reaction of O(3P) withcis-2-butene

✍ Scribed by Messaoudi, Boulanouar; Mekelleche, Sidi Mohamed; Mora-Diez, Nelaine

Book ID
125341860
Publisher
Springer
Year
2013
Tongue
English
Weight
396 KB
Volume
132
Category
Article
ISSN
1432-2234

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A theoretical study on the reaction mech
A theoretical study on the reaction mechanisms of O(3P)+1-butene
✍ Hongmei Zhao; Lu Pan; Wensheng Bian πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 420 KB

## Abstract The reaction of O(^3^P) with 1‐butene (CH~3~CH~2~CHο£ΎCH~2~) are examined by applying the UMP2 and G3 methods. The minimum energy crossing points (MECPs) between the singlet and triplet potential energy surfaces are located using the Newton‐Lagrange method, and it is shown that the MECPs