X-Ray determination of the effective cha
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G. N. Dolenko; A. L. Litvin; V. P. Elin
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Article
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1992
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John Wiley and Sons
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English
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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