THE MOLECULAR-STRUCTURE OF TOLUENE

被引：84

作者：

PANG, F ^{[1
]}

BOGGS, JE ^{[1
]}

PULAY, P ^{[1
]}

FOGARASI, G ^{[1
]}

机构：

[1] EOTVOS LORAND UNIV,INST GEN & INORGAN CHEM,H-1445 BUDAPEST,HUNGARY

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1980年 / 66卷 / SEP期

关键词：

D O I：

10.1016/0022-2860(80)80182-7

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：281 / 287

页数：7

共 18 条

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[2]

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RUDOLPH, HD ;

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[5]

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[7] EFFICIENT ABINITIO GRADIENT PROGRAM [J].

PULAY, P .

THEORETICA CHIMICA ACTA, 1979, 50 (04) :299-312

[8] SYSTEMATIC ABINITIO GRADIENT CALCULATION OF MOLECULAR GEOMETRIES, FORCE CONSTANTS, AND DIPOLE-MOMENT DERIVATIVES [J].

PULAY, P ;

FOGARASI, G ;

PANG, F ;

BOGGS, JE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (10) :2550-2560

[9]

Pulay P., 1977, APPL ELECT STRUCTURE, P153

[10]

RUDOLPH HD, 1967, Z NATURFORSCH PT A, VA 22, P940

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