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The effect of asymmetry of the atomic charge distribution on the positions of terminal atoms as determined with X-rays

โœ Scribed by Coppens, P. ;Coulson, C. A.


Book ID
114520616
Publisher
International Union of Crystallography
Year
1967
Tongue
English
Weight
358 KB
Volume
23
Category
Article
ISSN
0365-110X

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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