SELF-CONSISTENT-FIELD VARIATIONAL APPROACH TO THE INTERACTION BETWEEN A POLYMER AND A SMALL MOLECULE

被引：9

作者：

AOKI, Y ^{[1
]}

IMAMURA, A ^{[1
]}

MOROKUMA, K ^{[1
]}

机构：

[1] INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN

来源：

THEORETICA CHIMICA ACTA | 1989年 / 75卷 / 04期

关键词：

D O I：

10.1007/BF00533191

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

收藏

页码：247 / 260

页数：14

相关论文

共 17 条

[1] ABINITIO EFFECTIVE HAMILTONIAN STUDY OF THE ELECTRONIC-PROPERTIES OF CONJUGATED POLYMERS
BREDAS, JL
CHANCE, RR
BAUGHMAN, RH
SILBEY, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (07) : 3673 - 3678
[2] BREDAS JL, 1981, J CHEM PHYS, V75, P225
[3] BAND-STRUCTURE OF POLYACETYLENE, (CH)X
GRANT, PM
BATRA, IP
[J]. SOLID STATE COMMUNICATIONS, 1979, 29 (03) : 225 - 229
[4] PERTURBATIONAL APPROACH TO THE INTERACTION BETWEEN 2 NEARLY INCOMMENSURABLE POLYMERS
IMAMURA, A
SUHAI, S
LADIK, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) : 6067 - 6072
[5] IMAMURA A, 1985, J CHEM PHYS, V836, P5727
[6] KERTESZ M, 1985, INT REV PHYS CHEM, V4, P125
[7] SMALL CHAIN APPROXIMATION FOR THE ELECTRONIC-STRUCTURE OF POLYACETYLENE
KIRTMAN, B
NILSSON, WB
PALKE, WE
[J]. SOLID STATE COMMUNICATIONS, 1983, 46 (11) : 791 - 794
[8] NON-EMPIRICAL MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF MOLECULAR-CRYSTALS
OSHEA, SF
SANTRY, DP
[J]. THEORETICA CHIMICA ACTA, 1975, 37 (01): : 1 - 16
[9] ABINITIO CALCULATION OF POLYETHYLENE DEFORMATION INCLUDING ELECTRON CORRELATION-EFFECTS
SUHAI, S
[J]. JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 1983, 21 (08) : 1341 - 1346
[10] A PRIORI ELECTRONIC-STRUCTURE CALCULATIONS ON HIGHLY CONDUCTING POLYMERS .1. HARTREE-FOCK STUDIES ON CIS-POLYACETYLENES AND TRANS-POLYACETYLENES (POLYENES)
SUHAI, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (08) : 3843 - 3853