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ABINITIO SCF CI STUDY OF THE ELECTRONIC-STRUCTURE AND SPECTRUM OF CUF2
被引:19
作者
:
LARSSON, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM, DEPT THEORET PHYS, S-10691 STOCKHOLM, SWEDEN
UNIV STOCKHOLM, DEPT THEORET PHYS, S-10691 STOCKHOLM, SWEDEN
LARSSON, S
[
1
]
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM, DEPT THEORET PHYS, S-10691 STOCKHOLM, SWEDEN
UNIV STOCKHOLM, DEPT THEORET PHYS, S-10691 STOCKHOLM, SWEDEN
ROOS, BO
[
1
]
SIEGBAHN, PEM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM, DEPT THEORET PHYS, S-10691 STOCKHOLM, SWEDEN
UNIV STOCKHOLM, DEPT THEORET PHYS, S-10691 STOCKHOLM, SWEDEN
SIEGBAHN, PEM
[
1
]
机构
:
[1]
UNIV STOCKHOLM, DEPT THEORET PHYS, S-10691 STOCKHOLM, SWEDEN
来源
:
CHEMICAL PHYSICS LETTERS
|
1983年
/ 96卷
/ 04期
关键词
:
D O I
:
10.1016/0009-2614(83)80727-1
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:436 / 441
页数:6
相关论文
共 26 条
[1]
Ballhausen C. J., 1962, LIGAND FIELD THEORY
[2]
Davidson E.R., 1974, WORLD QUANTUM CHEM
[3]
DEMELLO PC, 1980, J AM CHEM SOC, V102, P1278
[4]
BONDING, SPECTRA, AND GEOMETRY OF TETRACHLOROCUPRATE ION CUCL42- - AB-INITIO LCAO-MO-SCF CALCULATION
DEMUYNCK, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM, INST THEORET PHYS, STOCKHOLM, SWEDEN
DEMUYNCK, J
VEILLARD, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM, INST THEORET PHYS, STOCKHOLM, SWEDEN
VEILLARD, A
WAHLGREN, U
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM, INST THEORET PHYS, STOCKHOLM, SWEDEN
WAHLGREN, U
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(17)
: 5563
-
5574
[5]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[6]
ABINITIO MOLECULAR-ORBITAL CALCULATIONS OF GROUND AND EXCITED-STATES OF MONOMERIC LINEAR DICHLORIDES MCL2 (WHERE M=CR,CO, OR CU)
GARNER, CD
论文数:
0
引用数:
0
h-index:
0
GARNER, CD
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
HILLIER, IH
WOOD, C
论文数:
0
引用数:
0
h-index:
0
WOOD, C
[J].
INORGANIC CHEMISTRY,
1978,
17
(01)
: 168
-
172
[7]
GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
HAY, PJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(10)
: 4377
-
4384
[8]
ESR OF CU(NO3)2 AND CUF2 MOLECULES ORIENTED IN NEON AND ARGON MATRICES AT 4 DEGREES K
KASAI, PH
论文数:
0
引用数:
0
h-index:
0
KASAI, PH
WHIPPLE, EB
论文数:
0
引用数:
0
h-index:
0
WHIPPLE, EB
WELTNER, W
论文数:
0
引用数:
0
h-index:
0
WELTNER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(07)
: 2581
-
&
[9]
LANGHOFF SR, 1975, INT J QUANTUM CHEM, V9, P183
[10]
ABINITIO HARTREE-FOCK AND MULTIPLE-SCATTERING X-ALPHA CALCULATION OF THE G-FACTORS FOR CUF2
LARSSON, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
LARSSON, S
HEHENBERGER, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
HEHENBERGER, M
CORREADEMELLO, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
CORREADEMELLO, P
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1980,
18
(05)
: 1271
-
1278
←
1
2
3
→
共 26 条
[1]
Ballhausen C. J., 1962, LIGAND FIELD THEORY
[2]
Davidson E.R., 1974, WORLD QUANTUM CHEM
[3]
DEMELLO PC, 1980, J AM CHEM SOC, V102, P1278
[4]
BONDING, SPECTRA, AND GEOMETRY OF TETRACHLOROCUPRATE ION CUCL42- - AB-INITIO LCAO-MO-SCF CALCULATION
DEMUYNCK, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM, INST THEORET PHYS, STOCKHOLM, SWEDEN
DEMUYNCK, J
VEILLARD, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM, INST THEORET PHYS, STOCKHOLM, SWEDEN
VEILLARD, A
WAHLGREN, U
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM, INST THEORET PHYS, STOCKHOLM, SWEDEN
WAHLGREN, U
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(17)
: 5563
-
5574
[5]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[6]
ABINITIO MOLECULAR-ORBITAL CALCULATIONS OF GROUND AND EXCITED-STATES OF MONOMERIC LINEAR DICHLORIDES MCL2 (WHERE M=CR,CO, OR CU)
GARNER, CD
论文数:
0
引用数:
0
h-index:
0
GARNER, CD
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
HILLIER, IH
WOOD, C
论文数:
0
引用数:
0
h-index:
0
WOOD, C
[J].
INORGANIC CHEMISTRY,
1978,
17
(01)
: 168
-
172
[7]
GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
HAY, PJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(10)
: 4377
-
4384
[8]
ESR OF CU(NO3)2 AND CUF2 MOLECULES ORIENTED IN NEON AND ARGON MATRICES AT 4 DEGREES K
KASAI, PH
论文数:
0
引用数:
0
h-index:
0
KASAI, PH
WHIPPLE, EB
论文数:
0
引用数:
0
h-index:
0
WHIPPLE, EB
WELTNER, W
论文数:
0
引用数:
0
h-index:
0
WELTNER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(07)
: 2581
-
&
[9]
LANGHOFF SR, 1975, INT J QUANTUM CHEM, V9, P183
[10]
ABINITIO HARTREE-FOCK AND MULTIPLE-SCATTERING X-ALPHA CALCULATION OF THE G-FACTORS FOR CUF2
LARSSON, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
LARSSON, S
HEHENBERGER, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
HEHENBERGER, M
CORREADEMELLO, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75105 UPPSALA,SWEDEN
CORREADEMELLO, P
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1980,
18
(05)
: 1271
-
1278
←
1
2
3
→