At the correlation-consistent polarized-valence quadruple-zeta complete active space self-consistent field second-order configuration interaction level of ab initio theory (cc-pVQZ CASSCF-SOCI), we calculated 129 points on the ground electronic state potential energy surface of the water dication H(
Quasi-classical kinetics on the ground-state potential-energy surface of CH2
โ Scribed by J.N. Murrell; L.J. Dunne
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 272 KB
- Volume
- 102
- Category
- Article
- ISSN
- 0009-2614
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