COMBINATION OF MOMM AND VEH METHODS TO CALCULATE ELECTRONIC-PROPERTIES OF POLYMERS

被引：13

作者：

BURKE, LA ^{[1
]}

KAO, J ^{[1
]}

LILLY, AC ^{[1
]}

机构：

[1] PHILIP MORRIS RES CTR,RICHMOND,VA 23261

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1987年 / 8卷 / 02期

关键词：

D O I：

10.1002/jcc.540080203

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：107 / 116

页数：10

共 34 条

[1] CALCULATION OF STRUCTURES OF HYDROCARBONS CONTAINING DELOCALIZED ELECTRONIC SYSTEMS BY MOLECULAR MECHANICS METHOD
ALLINGER, NL
SPRAGUE, JT
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (12) : 3893 - 3907
[2] ELECTRONIC-PROPERTIES OF POLYPYRROLE - AN ABINITIO HARTREE-FOCK STUDY
ANDRE, JM
VERCAUTEREN, DP
STREET, GB
BREDAS, JL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (11) : 5643 - 5648
[3] ANDRE JM, 1979, INT J QUANTUM CHEM, V13, P283
[4] ANGELOPOULOS M, IN PRESS
[5] BOND INDEXES AND VALENCY
ARMSTRONG, DR
PERKINS, PG
STEWART, JJP
[J]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1973, (08): : 838 - 840
[6] MICROWAVE DETERMINATION OF THE STRUCTURE OF PYRROLE
BAK, B
CHRISTENSEN, D
HANSEN, L
RASTRUPANDERSEN, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (04) : 720 - 725
[7] Bastiansen O, 1958, KGL NORSKE VIDENSKAB, V4, P1
[8] ELECTRONIC-PROPERTIES OF SULFUR-CONTAINING CONJUGATED POLYMERS
BREDAS, JL
ELSENBAUMER, RL
CHANCE, RR
SILBEY, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (09) : 5656 - 5662
[9] VALENCE EFFECTIVE HAMILTONIAN TECHNIQUE FOR NITROGEN CONTAINING POLYMERS - ELECTRONIC-STRUCTURE OF POLYPYRROLE, PYROLIZED POLYACRYLONITRILE, PARACYANOGEN, POLYMETHINEIMINE, AND DERIVATIVES
BREDAS, JL
THEMANS, B
ANDRE, JM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (10) : 6137 - 6148
[10] A NON-EMPIRICAL EFFECTIVE HAMILTONIAN TECHNIQUE FOR POLYMERS - APPLICATION TO POLYACETYLENE AND POLYDIACETYLENE
BREDAS, JL
CHANCE, RR
SILBEY, R
NICOLAS, G
DURAND, P
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (01) : 255 - 267

← 1 2 3 4 →