AB-INITIO SCF-MO CALCULATION OF IONIZATION ENERGIES AND CHARGE-DISTRIBUTIONS OF TCNQ AND ITS MONOVALENT AND DIVALENT ANIONS

被引：101

作者：

JONKMAN, HT ^{[1
]}

VELDE, GAVD ^{[1
]}

NIEUWPOORT, WC ^{[1
]}

机构：

[1] UNIV GRONINGEN, DEPT CHEM, THEORET CHEM GRP, GRONINGEN, NETHERLANDS

来源：

CHEMICAL PHYSICS LETTERS | 1974年 / 25卷 / 01期

关键词：

D O I：

10.1016/0009-2614(74)80332-5

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：62 / 65

页数：4

共 15 条

[1] ELECTRON SPIN RESONANCE SPECTRUM OF ELECTROLYTICALLY GENERATED 7,7,8,8-TETRACYANOQUINODIMETHANE RADICAL ANIONS
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[2] GROBMAN WD, TO BE PUBLISHED
[3] CRYSTAL-STRUCTURE OF RUBIDIUM 7,7,8,8-TETRACYANOQUINODIMETHANE, RB-TCNQ,AT -160 DEGREES C
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[4] UV SPECTRA AND THEIR CALCULATION OF TCNQ AND ITS MONOVALENT AND DIVALENT ANION
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[J]. CHEMICAL PHYSICS LETTERS, 1972, 15 (04) : 496 - +
[5] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1833 - 1840
[6] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .4. BONDING AND ANTIBONDING IN LCAO AND VALENCE-BOND THEORIES
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (12) : 2343 - 2346
[7] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .2. OVERLAP POPULATIONS, BOND ORDERS, AND COVALENT BOND ENERGIES
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1841 - 1846
[8] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .3. EFFECTS OF HYBRIDIZATION ON OVERLAP AND GROSS AO POPULATIONS
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (12) : 2338 - 2342
[9] NUCLEAR-QUADRUPOLE RESONANCE OF N-14 IN POTASSIUM TETRACYANOQUINODIMETHANIDE
MURGICH, J
PISSANETZKY, S
[J]. CHEMICAL PHYSICS LETTERS, 1973, 18 (03) : 420 - 422
[10] NAVDA DN, 1971, THEOR CHIM ACTA, V22, P369

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