APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .6. INDO CALCULATED EQUILIBRIUM GEOMETRIES

被引：148

作者：

GORDON, MS

POPLE, JA

机构：

[1] Department of Chemistry, Carnegie-Mellon University, Pittsburgh

[2] Department of Chemistry, Iowa State University, Ames

来源：

JOURNAL OF CHEMICAL PHYSICS | 1968年 / 49卷 / 10期

关键词：

D O I：

10.1063/1.1669925

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：

The INDO (intermediate neglect of differential overlap) self-consistent theory has been used to calculate equilibrium geometries for a series of small polyatomic molecules with one or two polyvalent atoms (carbon, nitrogen, or oxygen). The results are compared with experimental data where available.

引用

页码：4643 / &

共 15 条

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