Iteration Methods for Calculating Physicochemical Properties of Molecular Inorganic Compounds
โ Scribed by I.B. Sladkov; M.V. Uchaneva
- Book ID
- 111607056
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2004
- Tongue
- English
- Weight
- 34 KB
- Volume
- 77
- Category
- Article
- ISSN
- 1070-4272
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๐ SIMILAR VOLUMES
## Abstract The Cl^35^ nuclear quadrupole resonances were measured for three chlorinated bipyridine compounds. The number of resonances obtained is explained in terms of the position of one ring of the compound with respect to the other. Quantum chemical calculationsDetails of the computer programs
TIE perfect pairing and molecular orbital methods are compared using minimum bzscs of Slater-type orbit& for the calculation of properties of HF and two states of HF+. A discussion is given of the calculations of bond lengths and of valence and core ionization potenhls. '\_ '.