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A NON-EMPIRICAL EFFECTIVE HAMILTONIAN TECHNIQUE FOR POLYMERS - APPLICATION TO POLYACETYLENE AND POLYDIACETYLENE
被引:303
作者
:
BREDAS, JL
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
BREDAS, JL
CHANCE, RR
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
CHANCE, RR
SILBEY, R
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
SILBEY, R
NICOLAS, G
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
NICOLAS, G
DURAND, P
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
DURAND, P
机构
:
[1]
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
[2]
MIT,CTR MAT SCI & ENGN,CAMBRIDGE,MA 02139
[3]
UNIV PAUL SABATIER,PHYS QUANT LAB,F-31062 TOULOUSE,FRANCE
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1981年
/ 75卷
/ 01期
关键词
:
D O I
:
10.1063/1.441833
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:255 / 267
页数:13
相关论文
共 56 条
[41]
AB-INITIO HARTREE-FOCK CRYSTAL ORBITAL STUDIES - ENERGY-BANDS IN POLYENE RECONSIDERED
KERTESZ, M
论文数:
0
引用数:
0
h-index:
0
机构:
HUNGARIAN ACAD SCI, CENT RES INST CHEM, H-1525 BUDAPEST 17, HUNGARY
KERTESZ, M
KOLLER, J
论文数:
0
引用数:
0
h-index:
0
机构:
HUNGARIAN ACAD SCI, CENT RES INST CHEM, H-1525 BUDAPEST 17, HUNGARY
KOLLER, J
AZMAN, A
论文数:
0
引用数:
0
h-index:
0
机构:
HUNGARIAN ACAD SCI, CENT RES INST CHEM, H-1525 BUDAPEST 17, HUNGARY
AZMAN, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(03)
: 1180
-
1186
[42]
ELECTRONIC-STRUCTURES OF POLYDIACETYLENE BACKBONES
KERTESZ, M
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
KERTESZ, M
KOLLER, J
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
KOLLER, J
AZMAN, A
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
AZMAN, A
[J].
CHEMICAL PHYSICS LETTERS,
1978,
56
(01)
: 18
-
19
[43]
ELECTRONIC-STRUCTURE OF POLYDIACETYLENES AS STUDIED BY AB-INITIO CRYSTAL ORBITAL METHOD
KERTESZ, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
KERTESZ, M
KOLLER, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
KOLLER, J
AZMAN, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
AZMAN, A
[J].
CHEMICAL PHYSICS,
1978,
27
(02)
: 273
-
280
[44]
KITANI M, COMMUNICATION
[45]
XPS-VALENCE BAND STUDY OF POLYDIACETYLENE-BIS(TOLUENESULFONATE)
KNECHT, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARBURG,FACHBEREICH CHEM,D-3550 MARBURG,FED REP GER
KNECHT, J
REIMER, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARBURG,FACHBEREICH CHEM,D-3550 MARBURG,FED REP GER
REIMER, B
BASSLER, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARBURG,FACHBEREICH CHEM,D-3550 MARBURG,FED REP GER
BASSLER, H
[J].
CHEMICAL PHYSICS LETTERS,
1977,
49
(02)
: 327
-
329
[46]
NEW GENERAL METHODOLOGY FOR DERIVING TRANSFERABLE ATOMIC POTENTIALS IN MOLECULES
NICOLAS, G
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Physique Quantique, Université Paul Sabatier, F-31077 Toulouse Cedex, 118, route de Narbonne
NICOLAS, G
DURAND, P
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Physique Quantique, Université Paul Sabatier, F-31077 Toulouse Cedex, 118, route de Narbonne
DURAND, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(04)
: 2020
-
2021
[47]
NEW GENERAL METHODOLOGY FOR DERIVING EFFECTIVE-HAMILTONIANS FOR ATOMS AND MOLECULES - APPLICATION TO THE TRANSFERABILITY OF ATOMIC POTENTIALS IN THE HYDROCARBON SERIES
NICOLAS, G
论文数:
0
引用数:
0
h-index:
0
NICOLAS, G
DURAND, P
论文数:
0
引用数:
0
h-index:
0
DURAND, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(01)
: 453
-
463
[48]
OLEARY B, 1975, ADV QUANTUM CHEM, V9, P1
[49]
OPTIMIZED MOLECULAR ORBITAL WAVEFUNCTIONS FOR METHANE CONSTRUCTED FROM A MINIMUM BASIS SET
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
PITZER, RM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(12)
: 4871
-
&
[50]
ORGANIC METALS - POLY-(PARA-PHENYLENE SULFIDE) HEXAFLUOROARSENATE
RABOLT, JF
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
RABOLT, JF
CLARKE, TC
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
CLARKE, TC
KANAZAWA, KK
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
KANAZAWA, KK
REYNOLDS, JR
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
REYNOLDS, JR
STREET, GB
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
STREET, GB
[J].
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1980,
(08)
: 347
-
348
←
1
2
3
4
5
6
→
共 56 条
[41]
AB-INITIO HARTREE-FOCK CRYSTAL ORBITAL STUDIES - ENERGY-BANDS IN POLYENE RECONSIDERED
KERTESZ, M
论文数:
0
引用数:
0
h-index:
0
机构:
HUNGARIAN ACAD SCI, CENT RES INST CHEM, H-1525 BUDAPEST 17, HUNGARY
KERTESZ, M
KOLLER, J
论文数:
0
引用数:
0
h-index:
0
机构:
HUNGARIAN ACAD SCI, CENT RES INST CHEM, H-1525 BUDAPEST 17, HUNGARY
KOLLER, J
AZMAN, A
论文数:
0
引用数:
0
h-index:
0
机构:
HUNGARIAN ACAD SCI, CENT RES INST CHEM, H-1525 BUDAPEST 17, HUNGARY
AZMAN, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(03)
: 1180
-
1186
[42]
ELECTRONIC-STRUCTURES OF POLYDIACETYLENE BACKBONES
KERTESZ, M
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
KERTESZ, M
KOLLER, J
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
KOLLER, J
AZMAN, A
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
CHEM INST BORIS KIDRIC, LJUBLJANA, YUGOSLAVIA
AZMAN, A
[J].
CHEMICAL PHYSICS LETTERS,
1978,
56
(01)
: 18
-
19
[43]
ELECTRONIC-STRUCTURE OF POLYDIACETYLENES AS STUDIED BY AB-INITIO CRYSTAL ORBITAL METHOD
KERTESZ, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
KERTESZ, M
KOLLER, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
KOLLER, J
AZMAN, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
UNIV LJUBLJANA, B KIDRIC CHEM INST, YU-61000 LJUBLJANA, YUGOSLAVIA
AZMAN, A
[J].
CHEMICAL PHYSICS,
1978,
27
(02)
: 273
-
280
[44]
KITANI M, COMMUNICATION
[45]
XPS-VALENCE BAND STUDY OF POLYDIACETYLENE-BIS(TOLUENESULFONATE)
KNECHT, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARBURG,FACHBEREICH CHEM,D-3550 MARBURG,FED REP GER
KNECHT, J
REIMER, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARBURG,FACHBEREICH CHEM,D-3550 MARBURG,FED REP GER
REIMER, B
BASSLER, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARBURG,FACHBEREICH CHEM,D-3550 MARBURG,FED REP GER
BASSLER, H
[J].
CHEMICAL PHYSICS LETTERS,
1977,
49
(02)
: 327
-
329
[46]
NEW GENERAL METHODOLOGY FOR DERIVING TRANSFERABLE ATOMIC POTENTIALS IN MOLECULES
NICOLAS, G
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Physique Quantique, Université Paul Sabatier, F-31077 Toulouse Cedex, 118, route de Narbonne
NICOLAS, G
DURAND, P
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Physique Quantique, Université Paul Sabatier, F-31077 Toulouse Cedex, 118, route de Narbonne
DURAND, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(04)
: 2020
-
2021
[47]
NEW GENERAL METHODOLOGY FOR DERIVING EFFECTIVE-HAMILTONIANS FOR ATOMS AND MOLECULES - APPLICATION TO THE TRANSFERABILITY OF ATOMIC POTENTIALS IN THE HYDROCARBON SERIES
NICOLAS, G
论文数:
0
引用数:
0
h-index:
0
NICOLAS, G
DURAND, P
论文数:
0
引用数:
0
h-index:
0
DURAND, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(01)
: 453
-
463
[48]
OLEARY B, 1975, ADV QUANTUM CHEM, V9, P1
[49]
OPTIMIZED MOLECULAR ORBITAL WAVEFUNCTIONS FOR METHANE CONSTRUCTED FROM A MINIMUM BASIS SET
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
PITZER, RM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(12)
: 4871
-
&
[50]
ORGANIC METALS - POLY-(PARA-PHENYLENE SULFIDE) HEXAFLUOROARSENATE
RABOLT, JF
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
RABOLT, JF
CLARKE, TC
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
CLARKE, TC
KANAZAWA, KK
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
KANAZAWA, KK
REYNOLDS, JR
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
REYNOLDS, JR
STREET, GB
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
STREET, GB
[J].
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1980,
(08)
: 347
-
348
←
1
2
3
4
5
6
→