Kinetics of the hydrogen abstraction ·C2H5 + alkane → C2H6 + alkyl reaction class: an application of the reaction class transition state theory
نویسندگان
چکیده
منابع مشابه
Reaction class transition state theory: Hydrogen abstraction reactions by hydrogen atoms as test cases
We present a new method called Reaction Class Transition State Theory ~RC-TST! for estimating thermal rate constants of a large number of reactions in a class. This method is based on the transition state theory framework within the reaction class approach. Thermal rate constants of a given reaction in a class relative to those of its principal reaction can be efficiently predicted from only it...
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ژورنال
عنوان ژورنال: Theoretical Chemistry Accounts
سال: 2013
ISSN: 1432-881X,1432-2234
DOI: 10.1007/s00214-013-1344-x