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POSITIVE-IONS OF THE 1ST-ROW AND 2ND-ROW TRANSITION-METAL HYDRIDES
被引:140
作者
:
PETTERSSON, LGM
论文数:
0
引用数:
0
h-index:
0
机构:
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
PETTERSSON, LGM
[
1
]
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
BAUSCHLICHER, CW
[
1
]
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
LANGHOFF, SR
[
1
]
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
机构:
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
PARTRIDGE, H
[
1
]
机构
:
[1]
NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1987年
/ 87卷
/ 01期
关键词
:
D O I
:
10.1063/1.453594
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:481 / 492
页数:12
相关论文
共 44 条
[31]
RELATIVISTIC CONTRIBUTIONS TO THE LOW-LYING EXCITATION-ENERGIES AND IONIZATION-POTENTIALS OF THE TRANSITION-METALS
MARTIN, RL
论文数:
0
引用数:
0
h-index:
0
MARTIN, RL
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
HAY, PJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
75
(09)
: 4539
-
4545
[32]
ALL-ELECTRON RELATIVISTIC CALCULATIONS ON AGH - AN INVESTIGATION OF THE COWAN-GRIFFIN OPERATOR IN A MOLECULAR-SPECIES
MARTIN, RL
论文数:
0
引用数:
0
h-index:
0
MARTIN, RL
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(05)
: 750
-
754
[33]
CLASSIFICATION OF CONFIGURATIONS AND DETERMINATION OF INTERACTING AND NONINTERACTING SPACES IN CONFIGURATION INTERACTION
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
MCLEAN, AD
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
LIU, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(03)
: 1066
-
1078
[34]
MOORE CE, 1949, NBS467 US CIRC
[35]
A COMPLETE ACTIVE SPACE SCF METHOD (CASSCF) USING A DENSITY-MATRIX FORMULATED SUPER-CI APPROACH
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
机构:
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
ROOS, BO
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
TAYLOR, PR
SIEGBAHN, PEM
论文数:
0
引用数:
0
h-index:
0
机构:
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
SIEGBAHN, PEM
[J].
CHEMICAL PHYSICS,
1980,
48
(02)
: 157
-
173
[36]
THEORETICAL-STUDIES OF TRANSITION-METAL HYDRIDES .1. BOND-ENERGIES FOR CAH+, SCH+, TIH+, VH+, CRH+, MNH+, FEH+, COH+, NIH+, CUH+, AND ZNH+H+
SCHILLING, JB
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
SCHILLING, JB
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
GODDARD, WA
BEAUCHAMP, JL
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
BEAUCHAMP, JL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(04)
: 582
-
584
[37]
MULTIPLE SUBSTITUTION EFFECTS IN CONFIGURATION INTERACTION CALCULATIONS
SIEGBAHN, EM
论文数:
0
引用数:
0
h-index:
0
SIEGBAHN, EM
[J].
CHEMICAL PHYSICS LETTERS,
1978,
55
(02)
: 386
-
394
[38]
COMPARISON OF THE SUPER-CL AND THE NEWTON-RAPHSON SCHEME IN THE COMPLETE ACTIVE SPACE SCF METHOD
SIEGBAHN, P
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
SIEGBAHN, P
HEIBERG, A
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
HEIBERG, A
ROOS, B
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
ROOS, B
LEVY, B
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
LEVY, B
[J].
PHYSICA SCRIPTA,
1980,
21
(3-4)
: 323
-
327
[39]
THE COMPLETE ACTIVE SPACE SCF (CASSCF) METHOD IN A NEWTON-RAPHSON FORMULATION WITH APPLICATION TO THE HNO MOLECULE
SIEGBAHN, PEM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OSLO,DEPT CHEM,OSLO,NORWAY
SIEGBAHN, PEM
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OSLO,DEPT CHEM,OSLO,NORWAY
ALMLOF, J
HEIBERG, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OSLO,DEPT CHEM,OSLO,NORWAY
HEIBERG, A
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OSLO,DEPT CHEM,OSLO,NORWAY
ROOS, BO
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(04)
: 2384
-
2396
[40]
DETERMINATION OF METAL-HYDROGEN BOND-DISSOCIATION ENERGIES BY THE DEPROTONATION OF TRANSITION-METAL HYDRIDE IONS - APPLICATION TO MNH+
STEVENS, AE
论文数:
0
引用数:
0
h-index:
0
STEVENS, AE
BEAUCHAMP, JL
论文数:
0
引用数:
0
h-index:
0
BEAUCHAMP, JL
[J].
CHEMICAL PHYSICS LETTERS,
1981,
78
(02)
: 291
-
295
←
1
2
3
4
5
→
共 44 条
[31]
RELATIVISTIC CONTRIBUTIONS TO THE LOW-LYING EXCITATION-ENERGIES AND IONIZATION-POTENTIALS OF THE TRANSITION-METALS
MARTIN, RL
论文数:
0
引用数:
0
h-index:
0
MARTIN, RL
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
HAY, PJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
75
(09)
: 4539
-
4545
[32]
ALL-ELECTRON RELATIVISTIC CALCULATIONS ON AGH - AN INVESTIGATION OF THE COWAN-GRIFFIN OPERATOR IN A MOLECULAR-SPECIES
MARTIN, RL
论文数:
0
引用数:
0
h-index:
0
MARTIN, RL
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(05)
: 750
-
754
[33]
CLASSIFICATION OF CONFIGURATIONS AND DETERMINATION OF INTERACTING AND NONINTERACTING SPACES IN CONFIGURATION INTERACTION
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
MCLEAN, AD
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
LIU, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(03)
: 1066
-
1078
[34]
MOORE CE, 1949, NBS467 US CIRC
[35]
A COMPLETE ACTIVE SPACE SCF METHOD (CASSCF) USING A DENSITY-MATRIX FORMULATED SUPER-CI APPROACH
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
机构:
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
ROOS, BO
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
TAYLOR, PR
SIEGBAHN, PEM
论文数:
0
引用数:
0
h-index:
0
机构:
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
INST THEORET PHYS, S-11346 STOCKHOLM, SWEDEN
SIEGBAHN, PEM
[J].
CHEMICAL PHYSICS,
1980,
48
(02)
: 157
-
173
[36]
THEORETICAL-STUDIES OF TRANSITION-METAL HYDRIDES .1. BOND-ENERGIES FOR CAH+, SCH+, TIH+, VH+, CRH+, MNH+, FEH+, COH+, NIH+, CUH+, AND ZNH+H+
SCHILLING, JB
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
SCHILLING, JB
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
GODDARD, WA
BEAUCHAMP, JL
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
BEAUCHAMP, JL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(04)
: 582
-
584
[37]
MULTIPLE SUBSTITUTION EFFECTS IN CONFIGURATION INTERACTION CALCULATIONS
SIEGBAHN, EM
论文数:
0
引用数:
0
h-index:
0
SIEGBAHN, EM
[J].
CHEMICAL PHYSICS LETTERS,
1978,
55
(02)
: 386
-
394
[38]
COMPARISON OF THE SUPER-CL AND THE NEWTON-RAPHSON SCHEME IN THE COMPLETE ACTIVE SPACE SCF METHOD
SIEGBAHN, P
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
SIEGBAHN, P
HEIBERG, A
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
HEIBERG, A
ROOS, B
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
ROOS, B
LEVY, B
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
LEVY, B
[J].
PHYSICA SCRIPTA,
1980,
21
(3-4)
: 323
-
327
[39]
THE COMPLETE ACTIVE SPACE SCF (CASSCF) METHOD IN A NEWTON-RAPHSON FORMULATION WITH APPLICATION TO THE HNO MOLECULE
SIEGBAHN, PEM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OSLO,DEPT CHEM,OSLO,NORWAY
SIEGBAHN, PEM
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OSLO,DEPT CHEM,OSLO,NORWAY
ALMLOF, J
HEIBERG, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OSLO,DEPT CHEM,OSLO,NORWAY
HEIBERG, A
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OSLO,DEPT CHEM,OSLO,NORWAY
ROOS, BO
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(04)
: 2384
-
2396
[40]
DETERMINATION OF METAL-HYDROGEN BOND-DISSOCIATION ENERGIES BY THE DEPROTONATION OF TRANSITION-METAL HYDRIDE IONS - APPLICATION TO MNH+
STEVENS, AE
论文数:
0
引用数:
0
h-index:
0
STEVENS, AE
BEAUCHAMP, JL
论文数:
0
引用数:
0
h-index:
0
BEAUCHAMP, JL
[J].
CHEMICAL PHYSICS LETTERS,
1981,
78
(02)
: 291
-
295
←
1
2
3
4
5
→