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A computational study on the reaction mechanism of C2H5S with HO2

✍ Scribed by Yue Zhang; Wei Zhang; Tianlei Zhang; Wenxin Tian; Wenliang Wang

Book ID
116380207
Publisher
Elsevier
Year
2012
Tongue
English
Weight
917 KB
Volume
994
Category
Article
ISSN
2210-271X

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Computational studies on the mechanism a
Computational studies on the mechanism and kinetics of Cl reaction with C2H5I
✍ Xiu-Juan Jia; You-Jun Liu; Jing-Yu Sun; Hao Sun; Fang Wang; Zhong-Min Su; Xiu-Me πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 337 KB πŸ‘ 2 views

The dual-level direct kinetics method has been used to investigate the multichannel reactions of C(2)H(5)I + Cl. Three hydrogen abstraction channels and one displacement process are found for the title reaction. The calculation indicates that the hydrogen abstraction from -CH(2)- group is the domina