ABINITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - CONFIGURATION INTERACTION CALCULATIONS ON GROUND AND LOWER EXCITED-STATES OF CARBAZOLE

被引：36

作者：

NITZSCHE, LE ^{[1
]}

CHABALOWSKI, C ^{[1
]}

CHRISTOFFERSEN, RE ^{[1
]}

机构：

[1] UNIV KANSAS,DEPT CHEM,LAWRENCE,KS 66045

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1976年 / 98卷 / 16期

关键词：

D O I：

10.1021/ja00432a018

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：4794 / 4801

页数：8

共 33 条

[1] CARBAZOLE AND TRINITROFLUORENONE - AB-INITIO INVESTIGATION OF IONIZATION-POTENTIALS, ELECTRON AFFINITIES AND EXCITED-STATES
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[2] AB-INITIO CALCULATIONS FOR ELECTRONIC-STRUCTURE OF CARBAZOLE AND TRINITROFLUORENONE
BATRA, IP
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[J]. THEORETICA CHIMICA ACTA, 1974, 32 (04): : 279 - 293
[3] Steady-state photocurrent action spectra in polyvinyl carbazole
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[J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (01) : 137 - 138
[4] VIBRATIONAL ASSIGNMENT OF CARBAZOLE FROM INFRARED RAMAN AND FLUORESCENCE SPECTRA
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ZWARICH, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) : 3344 - &
[5] ABSORPTION SPECTRUM OF CARBAZOLE IN A FLUORENE MATRIX
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ZWARICH, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) : 3355 - &
[6] POLARIZED ABSORPTION SPECTRA OF CARBAZOLE SINGLE CRYSTAL
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GANGULY, SC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) : 2760 - +
[7] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - HYDROCARBON CHARACTERIZATIONS
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GENSON, DW
MAGGIORA, GM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (01) : 239 - &
[8] CHRISTOFFERSEN RE, 1973, J AM CHEM SOC, V95, P8526, DOI 10.1021/ja00807a005
[9] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .3. PYRROLE GROUND-STATE WAVEFUNCTION
CLEMENTI, E
CLEMENTI, H
DAVIS, DR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) : 4725 - &
[10] LUMINESCENCE STUDIES IN POLYMERS .2. TEMPERATURE EFFECT ON POLYVINYLCARBAZOLE FLUORESCENCE
DAVID, C
GEUKENS, G
PIENS, M
[J]. EUROPEAN POLYMER JOURNAL, 1972, 8 (11) : 1291 - &

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