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COMBINATION OF MOMM AND VEH METHODS TO CALCULATE ELECTRONIC-PROPERTIES OF POLYMERS
被引:13
作者
:
BURKE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
PHILIP MORRIS RES CTR,RICHMOND,VA 23261
PHILIP MORRIS RES CTR,RICHMOND,VA 23261
BURKE, LA
[
1
]
KAO, J
论文数:
0
引用数:
0
h-index:
0
机构:
PHILIP MORRIS RES CTR,RICHMOND,VA 23261
PHILIP MORRIS RES CTR,RICHMOND,VA 23261
KAO, J
[
1
]
LILLY, AC
论文数:
0
引用数:
0
h-index:
0
机构:
PHILIP MORRIS RES CTR,RICHMOND,VA 23261
PHILIP MORRIS RES CTR,RICHMOND,VA 23261
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
收藏
页码:107 / 116
页数:10
相关论文
共 34 条
[11]
CHAIN-LENGTH DEPENDENCE OF ELECTRONIC AND ELECTROCHEMICAL PROPERTIES OF CONJUGATED SYSTEMS - POLYACETYLENE, POLYPHENYLENE, POLYTHIOPHENE, AND POLYPYRROLE
BREDAS, JL
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
BREDAS, JL
SILBEY, R
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
SILBEY, R
BOUDREAUX, DS
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
BOUDREAUX, DS
CHANCE, RR
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
CHANCE, RR
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(22)
: 6555
-
6559
[12]
VALENCE EFFECTIVE HAMILTONIAN STUDY OF THE ELECTRONIC-STRUCTURE OF POLY(PARA-PHENYLENE) AND POLY(PARA-PHENYLENE SULFIDE)
BREDAS, JL
论文数:
0
引用数:
0
h-index:
0
机构:
MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
BREDAS, JL
CHANCE, RR
论文数:
0
引用数:
0
h-index:
0
机构:
MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
CHANCE, RR
SILBEY, R
论文数:
0
引用数:
0
h-index:
0
机构:
MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
SILBEY, R
NICOLAS, G
论文数:
0
引用数:
0
h-index:
0
机构:
MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
NICOLAS, G
DURAND, P
论文数:
0
引用数:
0
h-index:
0
机构:
MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
DURAND, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(01)
: 371
-
378
[13]
BURKERT U, 1982, MOL MECHANICS
[14]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4899
-
4907
[15]
ELECTROCHEMICAL POLYMERIZATION OF PYRROLE
DIAZ, AF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
DIAZ, AF
KANAZAWA, KK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
KANAZAWA, KK
GARDINI, GP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
GARDINI, GP
[J].
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1979,
(14)
: 635
-
636
[16]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[17]
DUKE CB, 1982, EXTENDED LINEAR CHAI, P59
[18]
DURAND P, 1980, J CHEM PHYS, V72, P453
[19]
FORD WK, 1982, J CHEM PHYS, V77
[20]
HOFFMANN R, 1963, J CHEM PHYS, V39, P1937
←
1
2
3
4
→
共 34 条
[11]
CHAIN-LENGTH DEPENDENCE OF ELECTRONIC AND ELECTROCHEMICAL PROPERTIES OF CONJUGATED SYSTEMS - POLYACETYLENE, POLYPHENYLENE, POLYTHIOPHENE, AND POLYPYRROLE
BREDAS, JL
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
BREDAS, JL
SILBEY, R
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
SILBEY, R
BOUDREAUX, DS
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
BOUDREAUX, DS
CHANCE, RR
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
CHANCE, RR
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(22)
: 6555
-
6559
[12]
VALENCE EFFECTIVE HAMILTONIAN STUDY OF THE ELECTRONIC-STRUCTURE OF POLY(PARA-PHENYLENE) AND POLY(PARA-PHENYLENE SULFIDE)
BREDAS, JL
论文数:
0
引用数:
0
h-index:
0
机构:
MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
BREDAS, JL
CHANCE, RR
论文数:
0
引用数:
0
h-index:
0
机构:
MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
CHANCE, RR
SILBEY, R
论文数:
0
引用数:
0
h-index:
0
机构:
MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
SILBEY, R
NICOLAS, G
论文数:
0
引用数:
0
h-index:
0
机构:
MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
NICOLAS, G
DURAND, P
论文数:
0
引用数:
0
h-index:
0
机构:
MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
DURAND, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(01)
: 371
-
378
[13]
BURKERT U, 1982, MOL MECHANICS
[14]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4899
-
4907
[15]
ELECTROCHEMICAL POLYMERIZATION OF PYRROLE
DIAZ, AF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
DIAZ, AF
KANAZAWA, KK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
KANAZAWA, KK
GARDINI, GP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
UNIV PARMA,INST POLICATTEDRA CHIM ORGAN,I-43100 PARMA,ITALY
GARDINI, GP
[J].
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1979,
(14)
: 635
-
636
[16]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[17]
DUKE CB, 1982, EXTENDED LINEAR CHAI, P59
[18]
DURAND P, 1980, J CHEM PHYS, V72, P453
[19]
FORD WK, 1982, J CHEM PHYS, V77
[20]
HOFFMANN R, 1963, J CHEM PHYS, V39, P1937
←
1
2
3
4
→