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Determination of atomic charges in compounds of the 3rd period elements by means of X-ray spectroscopy

✍ Scribed by H.-U. Chun

Book ID
107985247
Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
144 KB
Volume
31
Category
Article
ISSN
0375-9601

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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