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AN LCAO HFS INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF COBALTOCENE
被引:34
作者
:
FAMIGLIETTI, C
论文数:
0
引用数:
0
h-index:
0
FAMIGLIETTI, C
BAERENDS, EJ
论文数:
0
引用数:
0
h-index:
0
BAERENDS, EJ
机构
:
来源
:
CHEMICAL PHYSICS
|
1981年
/ 62卷
/ 03期
关键词
:
D O I
:
10.1016/0301-0104(81)85135-X
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:407 / 421
页数:15
相关论文
共 36 条
[1]
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
[2]
ELECTRONIC-STRUCTURE AND DYNAMIC JAHN-TELLER EFFECT OF COBALTOCENE FROM EPR AND OPTICAL STUDIES
AMMETER, JH
论文数:
0
引用数:
0
h-index:
0
AMMETER, JH
SWALEN, JD
论文数:
0
引用数:
0
h-index:
0
SWALEN, JD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(02)
: 678
-
&
[3]
HIGH-SPIN-LOW-SPIN EQUILIBRIUM OF MANGANOCENE AND DIMETHYLMANGANOCENE
AMMETER, JH
论文数:
0
引用数:
0
h-index:
0
机构:
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
AMMETER, JH
BUCHER, R
论文数:
0
引用数:
0
h-index:
0
机构:
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
BUCHER, R
OSWALD, N
论文数:
0
引用数:
0
h-index:
0
机构:
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
OSWALD, N
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(25)
: 7833
-
7835
[4]
EPR OF ORBITALLY DEGENERATE SANDWICH COMPOUNDS
AMMETER, JH
论文数:
0
引用数:
0
h-index:
0
AMMETER, JH
[J].
JOURNAL OF MAGNETIC RESONANCE,
1978,
30
(02)
: 299
-
325
[5]
AMMETER JH, COMMUNICATION
[6]
[Anonymous], [No title captured]
[7]
Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure
Baerends, E. J.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Baerends, E. J.
Ellis, D. E.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ellis, D. E.
Ros, P.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ros, P.
[J].
CHEMICAL PHYSICS,
1973,
2
(01)
: 41
-
51
[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]
BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169
[10]
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
←
1
2
3
4
→
共 36 条
[1]
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
[2]
ELECTRONIC-STRUCTURE AND DYNAMIC JAHN-TELLER EFFECT OF COBALTOCENE FROM EPR AND OPTICAL STUDIES
AMMETER, JH
论文数:
0
引用数:
0
h-index:
0
AMMETER, JH
SWALEN, JD
论文数:
0
引用数:
0
h-index:
0
SWALEN, JD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(02)
: 678
-
&
[3]
HIGH-SPIN-LOW-SPIN EQUILIBRIUM OF MANGANOCENE AND DIMETHYLMANGANOCENE
AMMETER, JH
论文数:
0
引用数:
0
h-index:
0
机构:
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
AMMETER, JH
BUCHER, R
论文数:
0
引用数:
0
h-index:
0
机构:
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
BUCHER, R
OSWALD, N
论文数:
0
引用数:
0
h-index:
0
机构:
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
ETH,INST ANORG CHEM,8006 ZURICH,SWITZERLAND
OSWALD, N
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(25)
: 7833
-
7835
[4]
EPR OF ORBITALLY DEGENERATE SANDWICH COMPOUNDS
AMMETER, JH
论文数:
0
引用数:
0
h-index:
0
AMMETER, JH
[J].
JOURNAL OF MAGNETIC RESONANCE,
1978,
30
(02)
: 299
-
325
[5]
AMMETER JH, COMMUNICATION
[6]
[Anonymous], [No title captured]
[7]
Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure
Baerends, E. J.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Baerends, E. J.
Ellis, D. E.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ellis, D. E.
Ros, P.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ros, P.
[J].
CHEMICAL PHYSICS,
1973,
2
(01)
: 41
-
51
[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]
BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169
[10]
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
←
1
2
3
4
→