Calculation of Phosphororganic Compounds by MINDO/3. 1. Parametrization of the P-C Bond

G. Frenking; H. Goetz; F. Marschner

doi:10.1021/ja00485a009

Calculation of Phosphororganic Compounds by MINDO/3. 1. Parametrization of the P-C Bond

G. Frenking, H. Goetz, F. Marschner

Technical University of Berlin

科研成果: 期刊稿件 › 文章 › 同行评审

24 引用（Scopus）

摘要

The original parameters αxy and Bxy for the core repulsion and the resonance integrals in mindo/3 were found to be incorrect in case of the P-C bonding. New parameters were determined based on true experimental data.

源语言	英语
页（从-至）	5295-5296
页数	2
期刊	Journal of the American Chemical Society
卷	100
期	17
DOI	https://doi.org/10.1021/ja00485a009
出版状态	已出版 - 1978
已对外发布	是

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10.1021/ja00485a009

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引用此

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abstract = "The original parameters αxy and Bxy for the core repulsion and the resonance integrals in mindo/3 were found to be incorrect in case of the P-C bonding. New parameters were determined based on true experimental data.",

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