STRUCTURE OF INFINITE POLYENES - ABINITIO QUANTUM CHEMICAL STUDY

被引：34

作者：

KERTESZ, M ^{[1
]}

KOLLER, J ^{[1
]}

AZMAN, A ^{[1
]}

机构：

[1] UNIV LJUBLJANA, B KIDRIC CHEM INST, P BOX 380, HAJDRIHOVA 19, YUGOSLAVIA

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1978年 / 13期

关键词：

D O I：

10.1039/c39780000575

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：575 / 576

页数：2

共 14 条

[1] ELECTRICAL-CONDUCTIVITY IN DOPED POLYACETYLENE [J].

CHIANG, CK ;

FINCHER, CR ;

PARK, YW ;

HEEGER, AJ ;

SHIRAKAWA, H ;

LOUIS, EJ ;

GAU, SC ;

MACDIARMID, AG .

PHYSICAL REVIEW LETTERS, 1977, 39 (17) :1098-1101

[2] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .4. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS - EXTENSION TO SECOND-ROW MOLECULES [J].

HEHRE, WJ ;

DITCHFIELD, R ;

STEWART, RF ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) :2769-+

[3] AB-INITIO HARTREE-FOCK CRYSTAL ORBITAL STUDIES - ENERGY-BANDS IN POLYENE RECONSIDERED [J].

KERTESZ, M ;

KOLLER, J ;

AZMAN, A .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (03) :1180-1186

[4] THE ALTERNATION OF BOND LENGTHS IN LONG CONJUGATED CHAIN MOLECULES [J].

LONGUETHIGGINS, HC ;

SALEM, L .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1959, 251 (1265) :172-185

[5] THEORETICAL-STUDY OF STRUCTURE AND SPECTRUM OF 1,3,5-HEXATRIENE [J].

MAINS, GJ ;

GEORGE, P ;

TRACHTMAN, M ;

BRETT, AM ;

BOCK, CW .

JOURNAL OF MOLECULAR STRUCTURE, 1977, 36 (02) :317-327

[6]

MURRELL JN, 1963, THEORY ELECTRONIC SP

[7] THEORY OF ONE-DIMENSIONAL MOTT SEMICONDUCTORS AND ELECTRONIC STRUCTURE OF LONG MOLECULES WITH CONJUGATE BONDS [J].

OVCHINNI.AA ;

UKRAINSK.II ;

KVENTSEL, GF .

USPEKHI FIZICHESKIKH NAUK, 1972, 108 (01) :81-+

[8]

OVCHINNIKOV AA, 1972, ITP28E I THEOR PHYS

[9] SYNTHESIS OF ELECTRICALLY CONDUCTING ORGANIC POLYMERS - HALOGEN DERIVATIVES OF POLYACETYLENE, (CH)X [J].

SHIRAKAWA, H ;

LOUIS, EJ ;

MACDIARMID, AG ;

CHIANG, CK ;

HEEGER, AJ .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1977, (16) :578-580

[10]

SHIRAKAWA H, 1971, POLYM J, V2, P317

← 1 2 →