MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .3. AB-INITIO STUDIES OF CHARGE DISTRIBUTION USING A MINIMAL SLATER-TYPE BASIS

被引：281

作者：

HEHRE, WJ

POPLE, JA

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1970年 / 92卷 / 08期

关键词：

D O I：

10.1021/ja00711a001

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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页码：2191 / +

页数：1

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[7] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .9. REMARKS ON CYANO GROUP
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[8] FORMALDEHYDE MOLECULE IN A GAUSSIAN BASIS . ONE-ELECTRON PROPERTIES
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[9] A QUANTUM VARIATIONAL CALCULATION FOR HCHO
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[10] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
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