Generalization of Electronegativity Concept

作者: Robert Ponec

DOI: 10.1007/BF00552856

关键词:

摘要: A generalization of the original method introduced by Hinze and Jaffe for calculating orbital electronegativities is proposed. This based on a new energy partitioning scheme within framework CNDO approximation permits to be calculated atoms in actual valence states which they occur real molecules.

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