SPEED AND ACCURACY IN MOLECULAR-ORBITAL CALCULATIONS - COMPARISON OF CNDO-2, INDO, PRDDO, STO-3G, AND OTHER METHODS, INCLUDING AAMOM, VRDDO, AND ESE MO

被引：128

作者：

HALGREN, TA

KLEIER, DA

HALL, JH

BROWN, LD

LIPSCOMB, WN

机构：

[1] WILLIAMS COLL,DEPT CHEM,WILLIAMSTOWN,MA 01267

[2] HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138

[3] MOREHOUSE COLL,DEPT CHEM,ATLANTA,GA 30314

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 21期

关键词：

D O I：

10.1021/ja00489a009

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：6595 / 6608

页数：14

共 117 条

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