A PRIORI ELECTRONIC-STRUCTURE CALCULATIONS ON HIGHLY CONDUCTING POLYMERS .1. HARTREE-FOCK STUDIES ON CIS-POLYACETYLENES AND TRANS-POLYACETYLENES (POLYENES)

被引：117

作者：

SUHAI, S ^{[1
]}

机构：

[1] UNIV ERLANGEN NURNBERG,LAB NATL FDN CANC RES,CHAIR THEORET CHEM,D-8520 ERLANGEN,FED REP GER

来源：

关键词：

D O I：

10.1063/1.440616

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：3843 / 3853

页数：11

共 55 条

[1] Andre J. M., 1971, International Journal of Quantum Chemistry, V5, P557, DOI 10.1002/qua.560050509
[2] THEORETICAL STUDY OF AN INFINITE POLYENIC CHAIN BY LCAO-SCF-CO METHOD
ANDRE, JM
LEROY, G
[J]. THEORETICA CHIMICA ACTA, 1967, 9 (02): : 123 - &
[3] ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P451
[4] ANDRE JM, 1975, ELECTRONIC STRUCTURE, P1
[5] ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P427
[6] ABINITIO HARTREE-FOCK CALCULATIONS ON ACETYLENE DIMER
AOYAMA, T
MATSUOKA, O
NAKAGAWA, N
[J]. CHEMICAL PHYSICS LETTERS, 1979, 67 (2-3) : 508 - 510
[7] STRUCTURES OF CIS-POLYACETYLENE AND HIGHLY CONDUCTING DERIVATIVES
BAUGHMAN, RH
HSU, SL
PEZ, GP
SIGNORELLI, AJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (12) : 5405 - 5409
[8] INDO AND MINDO/2 CRYSTAL ORBITAL STUDY OF POLYACETYLENE, POLYETHYLENE, AND POLYGLYCINE
BEVERIDGE, DL
LADIK, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (10) : 4744 - +
[9] BLOUNT EI, 1962, SOLID STATE PHYS, V13, P305
[10] COLOR AND CONSTITUTION .10. ABSORPTION OF THE MEROCYANINES
BROOKER, LGS
KEYES, GH
SPRAGUE, RH
VANDYKE, RH
VANLARE, E
VANZANDT, G
WHITE, FL
CRESSMAN, HWJ
DENT, SG
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1951, 73 (11) : 5332 - 5350