SEMI-EMPIRICAL CALCULATIONS OF MOLECULAR VIBRATIONAL FREQUENCIES - MNDO METHOD

被引：146

作者：

DEWAR, MJS

FORD, GP

MCKEE, ML

RZEPA, HS

THIEL, W

YAMAGUCHI, Y

机构：

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1978年 / 43卷 / 01期

关键词：

D O I：

10.1016/0022-2860(78)85037-6

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

收藏

页码：135 / 138

页数：4

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