A BROYDEN-FLETCHER-GOLDFARB-SHANNO OPTIMIZATION PROCEDURE FOR MOLECULAR GEOMETRIES

被引：796

作者：

HEAD, JD ^{[1
]}

ZERNER, MC ^{[1
]}

机构：

[1] UNIV GUELPH,GUELPH WATERLOO CTR GRAD WORK CHEM,DEPT CHEM,GUELPH N1G 2W1,ONTARIO,CANADA

来源：

CHEMICAL PHYSICS LETTERS | 1985年 / 122卷 / 03期

关键词：

D O I：

10.1016/0009-2614(85)80574-1

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

页码：264 / 270

页数：7

共 9 条

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[3]

HEAD JD, UNPUB

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[8] DETERMINATION AND CHARACTERIZATION OF A TRANSITION STRUCTURE FOR WATER-FORMALDEHYDE ADDITION [J].

SPANGLER, D ;

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