## Abstract For Abstract see ChemInform Abstract in Full Text.
Theoretical study of the unimolecular dissociation HO2→H+O2. II. Calculation of resonant states, dissociation rates, and O2 product state distributions
✍ Scribed by Dobbyn, Abigail J.; Stumpf, Michael; Keller, Hans-Martin; Schinke, Reinhard
- Book ID
- 118252367
- Publisher
- American Institute of Physics
- Year
- 1996
- Tongue
- English
- Weight
- 766 KB
- Volume
- 104
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.471587
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📜 SIMILAR VOLUMES
For some lower-lying excited states of NH3 and H20, ab initio SCF calculations indicate the presence of potential maxima in the paths leading to dissociation into NH2 +H and OH +H. The occurrence of these maxima is probably connected with changes in the highest occupied molecular orbital during diss
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.