ORBITAL OPTIMIZATION TECHNIQUES - COMPARATIVE-STUDY IN A SEMI-EMPIRICAL FRAMEWORK

被引：12

作者：

ADNAN, SSZ

BHATTACHARYA, S

MUKHERJEE, D

机构：

[1] UNIV CALCUTTA,DEPT PURE CHEM,CALCUTTA 700009,INDIA

[2] INDIAN ASSOC CULTIVAT SCI,DEPT PHYS CHEM,CALCUTTA 700032,INDIA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1978年 / 14卷 / 03期

关键词：

D O I：

10.1002/qua.560140307

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：289 / 297

页数：9

共 50 条

[1] RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR ORBITAL METHODS
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