The ground state potential energy surface for the C2H,...S02 complex has been extensively investigated at the Hartree-Fock (HF) level of theory employing the 6-3 1 G\*\* basis set. Electron correlation effects were assessed by second-order Moller-Plesset perturbation theory in single point calculati
Ab initio investigation of the stationary points on the potential energy surface for the CO2…HCN binary complex
✍ Scribed by Wagner B. De Almeida
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 646 KB
- Volume
- 166
- Category
- Article
- ISSN
- 0009-2614
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