COMPARATIVE STUDY OF ELECTROSTATIC POTENTIAL MAPS OBTAINED WITH DIFFERENT BASIS SETS

被引：27

作者：

ALMLOF, J ^{[1
]}

STOGARD, A ^{[1
]}

机构：

[1] UNIV STOCKHOLM,INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN

来源：

CHEMICAL PHYSICS LETTERS | 1974年 / 29卷 / 03期

关键词：

D O I：

10.1016/0009-2614(74)85135-3

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：418 / 420

页数：3

共 12 条

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[8] PROTONATION OF 3-MEMBERED RING MOLECULES - AB-INITIO SCF VERSUS ELECTROSTATIC PICTURE OF PROTON APPROACH [J].

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[9] MOLECULAR ELECTROSTATIC POTENTIALS OBTAINED WITH CNDO AND INDO WAVE-FUNCTIONS [J].

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PULLMAN, A .

THEORETICA CHIMICA ACTA, 1974, 33 (01) :91-94

[10] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

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