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X-ray study of the atomic charge densities in MgO, CaO, SrO and BaO

✍ Scribed by Vidal-Valat, G. ;Vidal, J. P. ;Kurki-Suonio, K.


Book ID
114522417
Publisher
International Union of Crystallography
Year
1978
Weight
879 KB
Volume
34
Category
Article
ISSN
0567-7394

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X-Ray determination of the effective cha
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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