The role of spin contamination and quasidegeneracy in the energetics of a simple hydrogen abstraction reaction is studied by applying recently developed coupled-cluster (CC) methods to an exactly solvable model for the F + H 2 → HF + H reaction [C. W. Bauschlicher and P. R. Taylor, J. Chem. Phys. 86
The kinetics of the reaction F + H2 → HF + H. A critical review of literature data
✍ Scribed by Avigdor Persky; Haya Kornweitz
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 105 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0538-8066
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