The calculation of oxygen potentials
β Scribed by J.H. Harding
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 271 KB
- Volume
- 130
- Category
- Article
- ISSN
- 0022-3115
No coin nor oath required. For personal study only.
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Geometries for the CH2CH,0 diradical, both singlet and triplet, in various conformations were optimized and the unimolecular reaction paths for the lowest-lying singlet and triplet diradicals were determined by the SCF energy gradient method employing the 6-31G\* basis functions. Approximately proje