SIMPLE MOLECULAR MODEL FOR CRYSTALLINE TETRATHIOFULVALENE-TETRACYANOQUINODIMETHANE (TTF-TCNQ)

被引：22

作者：

BATRA, IP ^{[1
]}

BENNETT, BI ^{[1
]}

HERMAN, F ^{[1
]}

机构：

[1] IBM CORP,SAN JOSE,CA 95193

来源：

PHYSICAL REVIEW B | 1975年 / 11卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.11.4927

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：4927 / 4934

页数：8

共 30 条

[11] CALCULATION OF ELECTRONIC-STRUCTURE OF TCNQ MOLECULE BY SELF-CONSISTENT STATISTICAL-EXCHANGE MULTIPLE-SCATTERING METHOD
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[12] JOHANSEN H, TO BE PUBLISHED
[13] Johnson K. H., 1973, ADV QUANTUM CHEM, V7, P143
[14] MULTIPLE-SCATTERING MODEL FOR POLYATOMIC MOLECULES
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (08) : 3085 - &
[15] JOHNSON KH, 1972, MIT SCATTERED WAVE C
[16] 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 - +
[17] AB-INITIO SCF-MO CALCULATION OF IONIZATION ENERGIES AND CHARGE-DISTRIBUTIONS OF TCNQ AND ITS MONOVALENT AND DIVALENT ANIONS
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[J]. CHEMICAL PHYSICS LETTERS, 1974, 25 (01) : 62 - 65
[18] CRYSTAL-STRUCTURE OF 1-1 RADICAL CATION-RADICAL ANION SALT OF 2,2'-BIS-1,3-DITHIOLE (TTF) AND 7,7,8,8-TETRACYANOQUINODIMETHANE (TCNQ)
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[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1974, 30 (MAR15): : 763 - 768
[19] ELECTRONIC AND IONIC PROPERTIES OF MOLECULAR TTF AND TCNQ
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COMPTON, RN
RAAEN, VF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (03) : 1177 - 1178
[20] ELECTRONIC-STRUCTURE CALCULATIONS FOR LARGE PLANAR MOLECULES BY SCF-SCATTERED WAVE METHOD
LIBERMAN, DA
BATRA, IP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (07) : 3723 - 3731

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