A new estimate of the anisotropic long-range potential energy surface for the interaction of He+ ( 1s 3) and HZ (X 'Zl) has been computed using extended atomic basis sets to construct three-configuration self-consistent-field (MCSCF) molecular orbitals for use in a multireference configuration inter
Ab initio Study of the Interactions between CO2 and N-Containing Organic Heterocycles
β Scribed by Konstantinos D. Vogiatzis; Andreas Mavrandonakis; Wim Klopper; George E. Froudakis
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 455 KB
- Volume
- 10
- Category
- Article
- ISSN
- 1439-4235
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