Enthalpies of formation of small free radicals and stable intermediates: Interplay of experimental and theoretical values
β Scribed by Rudolf Janoschek; Walter M.F. Fabian
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 148 KB
- Volume
- 780-781
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The enthalpies of formation of n-bromopropane (CH 3 CH 2 CH 2 Br) and its free radicals (CH 2 CH 2 CH 2 Br, CH 3 CHCH 2 Br and CH 3 CH 2 CHBr) were estimated by molecular orbital integrated methods using several working chemical reactions with four variants of theoretical approaches (levels) and fou
The bond dissociation enthalpies (BDEs) in chlorinated benzenes and phenols and the standard gas-phase enthalpies of formation of chlorinated phenyl and phenoxy radicals are predicted by using Gaussian-4 (G4) and Gaussian-3X (G3X) model chemistries. The predicted G4 BDEs are systematically smaller t