The two lowest potential energy surfaces for C(3p)+ NO(2II) have been investigated. The stationary points were first located using CASSCF gradient calculations and the geometries reoptimized using complete active space second-order perturbation theory. Zero-point corrections have been included in th
Theoretical study of the lowest potential energy surfaces for the reaction O(3P) + HBr(X 1∑+) → OH(X 2Π) + Br(2P)
✍ Scribed by Jan Urban; Volker Staemmler
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 692 KB
- Volume
- 178
- Category
- Article
- ISSN
- 0301-0104
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