AN ALGORITHM FOR GEOMETRY OPTIMIZATION WITHOUT ANALYTICAL GRADIENTS

被引：182
|
作者：
BAKER, J [1 ]
机构：
[1] AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA,ACT 2601,AUSTRALIA
来源：
JOURNAL OF COMPUTATIONAL CHEMISTRY | 1987年 / 8卷 / 05期
关键词：
D O I：
10.1002/jcc.540080502
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：563 / 574
页数：12
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