The activation barriers for computationally difficult radical abstraction reactions with small radicals were studied with Becke's 88 density functional theory Ž . DFT and G1 and G2 ab initio methods. Although many DFT methods produced negative activation barriers, Becke's 88 DFT methods generated ac
Kinetics of the hydrogen abstraction reactions of 1,1- and 1,2-difluoroethane with hydroxyl radical: an ab initio study
✍ Scribed by Asit K. Chandra; Tadafumi Uchimaru; Masaaki Sugie
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 252 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0192-8651
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