The hydrogen atom transfer reaction between substituted methanes (substituents; H, F, CH3, OH, and CN) and methyl radicals was studied by 4-31G (UHF) calculations using the MINDO/3 geometries. The transition state structures and energy barriers were determined, and variations of the transition state
β¦ LIBER β¦
Information theoretical analysis of the hydrogen atom
β Scribed by Jye-Chan Chen; Yu-Chuan Yang; Hsi-Wei Jia; Tieh-Sheng Lee
- Publisher
- Springer
- Year
- 1994
- Tongue
- English
- Weight
- 804 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0259-9791
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