COUNTERPOISE ORBITAL BASIS IN SCF COMPUTATIONS OF CONFORMATIONAL ENERGIES OF MOLECULES

被引:10
作者
BENDAZZOLI, GL
PALMIERI, P
PEDULLI, GF
机构
[1] UNIV BOLOGNA, IST CHIM FIS & SPETTROSCOPIA, 40136 BOLOGNA, ITALY
[2] UNIV BOLOGNA, IST CHIM G CIAMICIAN, 40126 BOLOGNA, ITALY
[3] UNIV BOLOGNA, IST CHIM ORG, 40136 BOLOGNA, ITALY
关键词
D O I
10.1016/0009-2614(74)80147-8
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:123 / 127
页数:5
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