The successive C-H bond dissociation energies of CH,, &Hz. C2H4, and H&O (ketene) are determined using large basis sets and a high level of correlation treatment. For CHI, C2H2, and C2H4 the computed values are in excellent agreement with experiment. Using our results we recommend 107.9 +2.0 and 96.
Theoretical study of the CH bond dissociation energy of C2H
✍ Scribed by Charles W. Bauschlicher Jr.; Stephen R. Langhoff
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 381 KB
- Volume
- 173
- Category
- Article
- ISSN
- 0009-2614
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