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The effective charges on atoms in crystals of inorganic compounds

โœ Scribed by E. V. Dulepov; S. S. Batsanov


Publisher
SP MAIK Nauka/Interperiodica
Year
1969
Tongue
English
Weight
178 KB
Volume
10
Category
Article
ISSN
0022-4766

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X-Ray determination of the effective cha
โœ G. N. Dolenko; A. L. Litvin; V. P. Elin ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 681 KB

The dependencies of Ka line shifts of the P and S atoms on effective charges of the atoms, calculated by CNDO/S, CNDOIZ, INDO, and MNDO methods in the minimal and extended basis sets, have been investigated for model compounds. Good linear relationships between Ka shifts and atomic charges have been