CALCULATIONS OF CHARGE-DISTRIBUTIONS, BOND ORDERS AND CONFORMATIONS FOR A NUMBER OF OXYGEN-CONTAINING AND FLUORINE-CONTAINING MOLECULES BY CNDO-BW AND EHT METHODS

被引：6

作者：

ZHUKOV, VP ^{[1
]}

GUBANOV, VA ^{[1
]}

机构：

[1] ACAD SCI USSR,CHEM INST,SVERDLOVSK,USSR

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1975年 / 28卷 / 02期

关键词：

D O I：

10.1016/0022-2860(75)80095-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：247 / 254

页数：8

共 27 条

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[8]

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[9] SCF-MO-CNDO STUDY OF EQUILIBRIUM GEOMETRIES, FORCE CONSTANTS, AND BONDING ENERGIES - CNDO/BW .1. PARAMETERIZATION [J].

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