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

页码：563 / 574

页数：12

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