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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