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Kinetics of Hydrogen Abstraction Reaction Class H + H−C(sp 3 ): First-Principles Predictions Using the Reaction Class Transition State Theory

✍ Scribed by Zhang, Shaowen; Truong, Thanh N.


Book ID
121235315
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
139 KB
Volume
107
Category
Article
ISSN
1089-5639

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This paper presents an application of the reaction class transition state theory (RC-TST) to predict thermal rate constants for hydrogen abstraction reactions of the type R-OH + H → R • -OH + H 2 . We have derived all parameters for the RC-TST method with linear energy relationships (LERs) and the b