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Molecular orbital study of the relationship between electronic structure and toxicity of silatranes
Author(s) -
Liu RuoZhuang,
Zheng ShiJin,
Yu JianGuo
Publication year - 1983
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560230442
Subject(s) - toxicity , molecular orbital , chemistry , computational chemistry , organic chemistry , molecule
Two MO indices are found to correlate well with the toxicity of 1‐substituted silatranes.