The gas-phase reaction between 4-ethylpyridine and OH radical are studied using the hybrid density functional model MPWB1K and BB1K methods. Thermochemistry and kinetic parameters for both addition and hydrogen abstraction reaction from all the potential sites are considered. Barrier heights for all
✦ LIBER ✦
Glycine amide hydrolysis with water and OH radical: a comparative DFT study
✍ Scribed by Vladimir A. Basiuk; Héctor M. Montiel
- Book ID
- 108065534
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 388 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0273-1177
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