Computational studies on the mechanism a
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Xiu-Juan Jia; You-Jun Liu; Jing-Yu Sun; Hao Sun; Fang Wang; Zhong-Min Su; Xiu-Me
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Article
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2010
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John Wiley and Sons
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English
⚖ 337 KB
👁 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