IONIC CHARGE-TRANSFER COMPLEXES .2. COMPARATIVE ABINITIO AND SEMIEMPIRICAL STUDIES ON CATIONIC COMPLEXES OF ANILINE

被引：32

作者：

ELSHALL, MS

KAFAFI, SA

MEOTNER, M

KERTESZ, M

机构：

[1] NBS,DIV CHEM KINET,GAITHERSBURG,MD 20899

[2] GEORGETOWN UNIV,DEPT CHEM,WASHINGTON,DC 20057

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1986年 / 108卷 / 15期

关键词：

D O I：

10.1021/ja00275a027

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：4391 / 4397

页数：7

共 29 条

[1] MOLECULAR-ORBITAL STUDIES OF TTF AND TCNQ DIMERS BY EXTENDED HUCKEL METHOD [J].

BERLINSKY, AJ ;

CAROLAN, JF ;

WEILER, L .

SOLID STATE COMMUNICATIONS, 1976, 19 (12) :1165-1168

[2] GEOMETRIES OF MOLECULAR COMPLEXES - AN EXTENDED HUCKEL APPROACH [J].

CHESNUT, DB ;

MOSELEY, RW .

THEORETICA CHIMICA ACTA, 1969, 13 (03) :230-&

[3]

Claverie P., 1978, INTERMOLECULAR INTER

[4] THEORY OF MOLECULAR INTERACTIONS .1. MOLECULAR ORBITAL STUDIES OF WATER POLYMERS USING A MINIMAL SLATER-TYPE BASIS [J].

DELBENE, J ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (09) :4858-+

[5] MOLECULAR-ORBITAL STUDY OF THE COMPLEXES (AHN)2H+ FORMED FROM NH3, OH2, FH, PH3, SH2, AND CIH [J].

DELBENE, JE ;

FRISCH, MJ ;

POPLE, JA .

JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (17) :3669-3674

[6]

Dewar M.J.S., 1969, MOL ORBITAL THEORY O

[7]

ELSHALL MS, 1985, THESIS GEORGETOWN U

[8] A PCILO STUDY OF CONFORMATION AND INTERNAL-ROTATION IN MONOSUBSTITUTED BENZENES [J].

GERHARDS, J ;

HA, TK ;

PERLIA, X .

HELVETICA CHIMICA ACTA, 1982, 65 (01) :105-121

[9]

GERHARDS J, 1970, HELV CHIM ACTA BERLI, V42, P13

[10] WATER MOLECULE INTERACTIONS [J].

HANKINS, D ;

MOSKOWITZ, JW ;

STILLINGER, FH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) :4544-+

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