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Direct dynamics study of the hydrogen abstraction reaction of CF3CH2Cl + Cl → CF3CHCl + HCl

✍ Scribed by Yuan Zhao; Hongqing He; Jinglai Zhang; Li Wang

Book ID
112136863
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
268 KB
Volume
44
Category
Article
ISSN
0538-8066

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## Abstract By means of the dual‐level direct dynamics method, the mechanisms of the reactions, CH~3~CF~2~Cl + OH → products (R1) and CH~3~CFCl~2~ + OH → products (R2), are studied over a wide temperature range 200–2000 K. The optimized geometries and frequencies of the stationary points are calcul