THE EFFECT OF INCLUDING POLARIZATION FUNCTIONS ON THE GEOMETRICAL PARAMETERS CALCULATED FOR BENZENE, FLUOROBENZENE AND CYANOBENZENE

被引：31

作者：

BOCK, CW ^{[1
]}

TRACHTMAN, M ^{[1
]}

GEORGE, P ^{[1
]}

机构：

[1] UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1985年 / 6卷 / 06期

关键词：

D O I：

10.1002/jcc.540060612

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：592 / 597

页数：6

共 29 条

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[5] AB-INITIO STUDY OF THE DEPENDENCE OF MOLECULAR-GEOMETRY ON BASIS SET .2. ACETYLENE
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[6] COMPARATIVE MOLECULAR-ORBITAL STUDY OF THE SINGLET-STATE OF ORTHO-BENZYNE AND MOLECULES WITH SIMILAR STRUCTURAL ELEMENTS
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[7] ABINITIO STUDY OF DEPENDENCE OF MOLECULAR-GEOMETRY ON BASIS SET .1. ETHYLENE
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[8] BOCK CW, 1985, J MOL STRUC-THEOCHEM, V122, P155
[9] STRUCTURES OF SOME FLUORINATED BENZENES DETERMINED BY ABINITIO COMPUTATION
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[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) : 344 - 353
[10] MICROWAVE SPECTRA OF ISOTOPIC BENZONITRILES - REFINED MOLECULAR STRUCTURE OF BENZONITRILE
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