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A SEMIEMPIRICAL CRYSTAL ORBITAL INVESTIGATION ON THE ONE-DIMENSIONAL POLYFERROCENYLENE SYSTEM
被引:22
作者
:
BOHM, MC
论文数:
0
引用数:
0
h-index:
0
BOHM, MC
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1984年
/ 80卷
/ 06期
关键词
:
D O I
:
10.1063/1.447018
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:2704 / 2718
页数:15
相关论文
共 157 条
[1]
Allen G. C., 1967, PROGR INORG CHEM, V8, P357, DOI DOI 10.1002/9780470166093.CH6
[2]
COUNTERINTUITIVE ORBITAL MIXING IN SEMI-EMPIRICAL AND ABINITIO MOLECULAR-ORBITAL CALCULATIONS
AMMETER, JH
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
AMMETER, JH
BURGI, HB
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
BURGI, HB
THIBEAULT, JC
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
THIBEAULT, JC
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
HOFFMANN, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(12)
: 3686
-
3692
[3]
ORDERING AND ANTIFERROMAGNETISM IN FERRITES
ANDERSON, PW
论文数:
0
引用数:
0
h-index:
0
ANDERSON, PW
[J].
PHYSICAL REVIEW,
1956,
102
(04):
: 1008
-
1013
[4]
ANDERSON PW, 1969, SOLID STATE PHYS, V1, P31
[5]
ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P451
[6]
SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS .4. SOME METALLOCENES
ARMSTRONG, AT
论文数:
0
引用数:
0
h-index:
0
ARMSTRONG, AT
CARROLL, DG
论文数:
0
引用数:
0
h-index:
0
CARROLL, DG
MCGLYNN, SP
论文数:
0
引用数:
0
h-index:
0
MCGLYNN, SP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(03)
: 1104
-
+
[7]
METALLIC AND NONMETALLIC BEHAVIOR IN TRANSITION METAL OXIDES
AUSTIN, IG
论文数:
0
引用数:
0
h-index:
0
AUSTIN, IG
MOTT, NF
论文数:
0
引用数:
0
h-index:
0
MOTT, NF
[J].
SCIENCE,
1970,
168
(3927)
: 71
-
&
[8]
LEVEL ORDERING IN FERROCENE - COMPARISON BETWEEN HARTREE-FOCK-SLATER AND HARTREE-FOCK MODELS
BAERENDS, EJ
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV AMSTERDAM,SCHEIKUNDIG LAB,AMSTERDAM,NETHERLANDS
FREE UNIV AMSTERDAM,SCHEIKUNDIG LAB,AMSTERDAM,NETHERLANDS
BAERENDS, EJ
ROS, P
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV AMSTERDAM,SCHEIKUNDIG LAB,AMSTERDAM,NETHERLANDS
FREE UNIV AMSTERDAM,SCHEIKUNDIG LAB,AMSTERDAM,NETHERLANDS
ROS, P
[J].
CHEMICAL PHYSICS LETTERS,
1973,
23
(03)
: 391
-
393
[9]
THEORETICAL-STUDY OF ELECTRONIC-STRUCTURE OF FERROCENE AND FERRICINIUM - APPLICATION TO MOSSBAUER ISOMER-SHIFTS, IONIZATION-POTENTIALS, AND CONFORMATION
BAGUS, PS
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
BAGUS, PS
WALGREN, UI
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
WALGREN, UI
ALMLOF, J
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
ALMLOF, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(06)
: 2324
-
2334
[10]
STRUCTURAL BASIS FOR SEMICONDUCTING AND METALLIC POLYMER DOPANT SYSTEMS
BAUGHMAN, RH
论文数:
0
引用数:
0
h-index:
0
BAUGHMAN, RH
BREDAS, JL
论文数:
0
引用数:
0
h-index:
0
BREDAS, JL
CHANCE, RR
论文数:
0
引用数:
0
h-index:
0
CHANCE, RR
ELSENBAUMER, RL
论文数:
0
引用数:
0
h-index:
0
ELSENBAUMER, RL
SHACKLETTE, LW
论文数:
0
引用数:
0
h-index:
0
SHACKLETTE, LW
[J].
CHEMICAL REVIEWS,
1982,
82
(02)
: 209
-
222
←
1
2
3
4
5
6
7
8
9
10
→
共 157 条
[1]
Allen G. C., 1967, PROGR INORG CHEM, V8, P357, DOI DOI 10.1002/9780470166093.CH6
[2]
COUNTERINTUITIVE ORBITAL MIXING IN SEMI-EMPIRICAL AND ABINITIO MOLECULAR-ORBITAL CALCULATIONS
AMMETER, JH
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
AMMETER, JH
BURGI, HB
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
BURGI, HB
THIBEAULT, JC
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
THIBEAULT, JC
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
HOFFMANN, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(12)
: 3686
-
3692
[3]
ORDERING AND ANTIFERROMAGNETISM IN FERRITES
ANDERSON, PW
论文数:
0
引用数:
0
h-index:
0
ANDERSON, PW
[J].
PHYSICAL REVIEW,
1956,
102
(04):
: 1008
-
1013
[4]
ANDERSON PW, 1969, SOLID STATE PHYS, V1, P31
[5]
ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P451
[6]
SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS .4. SOME METALLOCENES
ARMSTRONG, AT
论文数:
0
引用数:
0
h-index:
0
ARMSTRONG, AT
CARROLL, DG
论文数:
0
引用数:
0
h-index:
0
CARROLL, DG
MCGLYNN, SP
论文数:
0
引用数:
0
h-index:
0
MCGLYNN, SP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(03)
: 1104
-
+
[7]
METALLIC AND NONMETALLIC BEHAVIOR IN TRANSITION METAL OXIDES
AUSTIN, IG
论文数:
0
引用数:
0
h-index:
0
AUSTIN, IG
MOTT, NF
论文数:
0
引用数:
0
h-index:
0
MOTT, NF
[J].
SCIENCE,
1970,
168
(3927)
: 71
-
&
[8]
LEVEL ORDERING IN FERROCENE - COMPARISON BETWEEN HARTREE-FOCK-SLATER AND HARTREE-FOCK MODELS
BAERENDS, EJ
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV AMSTERDAM,SCHEIKUNDIG LAB,AMSTERDAM,NETHERLANDS
FREE UNIV AMSTERDAM,SCHEIKUNDIG LAB,AMSTERDAM,NETHERLANDS
BAERENDS, EJ
ROS, P
论文数:
0
引用数:
0
h-index:
0
机构:
FREE UNIV AMSTERDAM,SCHEIKUNDIG LAB,AMSTERDAM,NETHERLANDS
FREE UNIV AMSTERDAM,SCHEIKUNDIG LAB,AMSTERDAM,NETHERLANDS
ROS, P
[J].
CHEMICAL PHYSICS LETTERS,
1973,
23
(03)
: 391
-
393
[9]
THEORETICAL-STUDY OF ELECTRONIC-STRUCTURE OF FERROCENE AND FERRICINIUM - APPLICATION TO MOSSBAUER ISOMER-SHIFTS, IONIZATION-POTENTIALS, AND CONFORMATION
BAGUS, PS
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
BAGUS, PS
WALGREN, UI
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
WALGREN, UI
ALMLOF, J
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
ALMLOF, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(06)
: 2324
-
2334
[10]
STRUCTURAL BASIS FOR SEMICONDUCTING AND METALLIC POLYMER DOPANT SYSTEMS
BAUGHMAN, RH
论文数:
0
引用数:
0
h-index:
0
BAUGHMAN, RH
BREDAS, JL
论文数:
0
引用数:
0
h-index:
0
BREDAS, JL
CHANCE, RR
论文数:
0
引用数:
0
h-index:
0
CHANCE, RR
ELSENBAUMER, RL
论文数:
0
引用数:
0
h-index:
0
ELSENBAUMER, RL
SHACKLETTE, LW
论文数:
0
引用数:
0
h-index:
0
SHACKLETTE, LW
[J].
CHEMICAL REVIEWS,
1982,
82
(02)
: 209
-
222
←
1
2
3
4
5
6
7
8
9
10
→