The geometrical parameters for SnX, (X = Cl, Br, 1) and SnXl have been optimized at the SCF and CI levels using non-empirical pseudopotentials and a basis set of double-zeta plus polarization quality. For the neutral molecules the geometrical parameters are in agreement with the experimental values,
The structure of linear SiCC: An ab initio SCF CI study including vibrational effects
β Scribed by F. Pauzat; Y. Ellinger
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 426 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0009-2614
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