Ab-initioSOS-CI calculations of magnetic properties of the first- and second-row hydrides
β Scribed by Vinicio Galasso
- Publisher
- Springer
- Year
- 1983
- Tongue
- English
- Weight
- 383 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1432-2234
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π SIMILAR VOLUMES
The changes in the components of the nuclear shielding tensors which occur when a molecule is placed in a uniform electric field can be described by a Taylor series expansion. The coefficients in this expansion are sometimes referred to as "shielding polarizabilities". Following a study of electric
STO-3G minimal basis sets for first-and second-row transition metals have been formulated and applied to the calculation of equilibrium geometries for a variety of inorganic systems, metal carbonyls, and organometallic compounds. While the overall level of agreement with experiment is not as good as