AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - INITIAL STUDIES ON OPEN-SHELL SYSTEMS

被引：12

作者：

DAVIS, TD

CHRISTOFFERSEN, RE

MAGGIORA, GM

机构：

[1] UNIV KANSAS, CHEM DEPT, LAWRENCE, KS 66044 USA

[2] UNIV KANSAS, BIOCHEM DEPT, LAWRENCE, KS 66044 USA

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 21卷 / 03期

关键词：

D O I：

10.1016/0009-2614(73)80312-4

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

收藏

页码：576 / 580

页数：5

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[7] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - BENZENE AND NAPHTHALENE ISOMER CHARACTERIZATIONS AND AROMATICITY CONSIDERATIONS
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