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BONDING IN ZEROVALENT NI COMPOUNDS - NIN2 AND NI(N2)4 COMPARED WITH NICO AND NI(CO)4
被引:54
作者
:
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
LANGHOFF, SR
BARNES, LA
论文数:
0
引用数:
0
h-index:
0
BARNES, LA
机构
:
来源
:
CHEMICAL PHYSICS
|
1989年
/ 129卷
/ 03期
关键词
:
D O I
:
10.1016/0301-0104(89)85012-8
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:431 / 437
页数:7
相关论文
共 32 条
[1]
THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
;
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
;
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
EHRHARDT, C
.
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
:890
-898
[2]
GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS
[J].
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
ALMLOF, J
;
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
TAYLOR, PR
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(07)
:4070
-4077
[3]
BONDING AND BACK-BONDING IN NICO - A MCSCF STUDY
[J].
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
BAGUS, PS
;
ROOS, BO
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机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
ROOS, BO
.
JOURNAL OF CHEMICAL PHYSICS,
1981,
75
(12)
:5961
-5962
[4]
ON THE INTERPRETATION OF THE PHOTOELECTRON-SPECTRUM OF NICO-
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
;
BARNES, LA
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0
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0
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0
BARNES, LA
;
LANGHOFF, SR
论文数:
0
引用数:
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0
LANGHOFF, SR
.
CHEMICAL PHYSICS LETTERS,
1988,
151
(4-5)
:391
-396
[5]
ON THE SIMILARITY AND DIFFERENCES FOR N-2 AND CO ON NI
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
.
CHEMICAL PHYSICS LETTERS,
1985,
115
(4-5)
:387
-391
[6]
ON THE 1A1-3B1 SEPARATION IN CH2 AND SIH2
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
BAUSCHLICHER, CW
;
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
LANGHOFF, SR
;
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
TAYLOR, PR
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
87
(01)
:387
-391
[7]
HOW IMPORTANT IS CORRELATION IN THE DESCRIPTION OF THE NI-H2O INTERACTION
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
.
CHEMICAL PHYSICS LETTERS,
1987,
142
(1-2)
:71
-75
[8]
ON THE DISSOCIATION-ENERGIES AND BONDING IN NICO+ AND TICO+
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
;
BARNES, LA
论文数:
0
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BARNES, LA
.
CHEMICAL PHYSICS,
1988,
124
(03)
:383
-394
[9]
BAUSCHLICHER CW, IN PRESS THEORET CHI
[10]
THE VIBRATIONAL FREQUENCIES, THE DISSOCIATION-ENERGY, AND THE ELECTRON-AFFINITY OF NICKEL CARBONYL
[J].
BLOMBERG, M
论文数:
0
引用数:
0
h-index:
0
BLOMBERG, M
;
BRANDEMARK, U
论文数:
0
引用数:
0
h-index:
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BRANDEMARK, U
;
JOHANSSON, J
论文数:
0
引用数:
0
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0
JOHANSSON, J
;
SIEGBAHN, P
论文数:
0
引用数:
0
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0
SIEGBAHN, P
;
WENNERBERG, J
论文数:
0
引用数:
0
h-index:
0
WENNERBERG, J
.
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(07)
:4324
-4333
←
1
2
3
4
→
共 32 条
[1]
THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
;
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
;
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
EHRHARDT, C
.
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
:890
-898
[2]
GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS
[J].
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
ALMLOF, J
;
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
TAYLOR, PR
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(07)
:4070
-4077
[3]
BONDING AND BACK-BONDING IN NICO - A MCSCF STUDY
[J].
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
BAGUS, PS
;
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
ROOS, BO
.
JOURNAL OF CHEMICAL PHYSICS,
1981,
75
(12)
:5961
-5962
[4]
ON THE INTERPRETATION OF THE PHOTOELECTRON-SPECTRUM OF NICO-
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
;
BARNES, LA
论文数:
0
引用数:
0
h-index:
0
BARNES, LA
;
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
LANGHOFF, SR
.
CHEMICAL PHYSICS LETTERS,
1988,
151
(4-5)
:391
-396
[5]
ON THE SIMILARITY AND DIFFERENCES FOR N-2 AND CO ON NI
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
.
CHEMICAL PHYSICS LETTERS,
1985,
115
(4-5)
:387
-391
[6]
ON THE 1A1-3B1 SEPARATION IN CH2 AND SIH2
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
BAUSCHLICHER, CW
;
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
LANGHOFF, SR
;
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
ELORET INST,SUNNYVALE,CA 94087
ELORET INST,SUNNYVALE,CA 94087
TAYLOR, PR
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
87
(01)
:387
-391
[7]
HOW IMPORTANT IS CORRELATION IN THE DESCRIPTION OF THE NI-H2O INTERACTION
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
.
CHEMICAL PHYSICS LETTERS,
1987,
142
(1-2)
:71
-75
[8]
ON THE DISSOCIATION-ENERGIES AND BONDING IN NICO+ AND TICO+
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
;
BARNES, LA
论文数:
0
引用数:
0
h-index:
0
BARNES, LA
.
CHEMICAL PHYSICS,
1988,
124
(03)
:383
-394
[9]
BAUSCHLICHER CW, IN PRESS THEORET CHI
[10]
THE VIBRATIONAL FREQUENCIES, THE DISSOCIATION-ENERGY, AND THE ELECTRON-AFFINITY OF NICKEL CARBONYL
[J].
BLOMBERG, M
论文数:
0
引用数:
0
h-index:
0
BLOMBERG, M
;
BRANDEMARK, U
论文数:
0
引用数:
0
h-index:
0
BRANDEMARK, U
;
JOHANSSON, J
论文数:
0
引用数:
0
h-index:
0
JOHANSSON, J
;
SIEGBAHN, P
论文数:
0
引用数:
0
h-index:
0
SIEGBAHN, P
;
WENNERBERG, J
论文数:
0
引用数:
0
h-index:
0
WENNERBERG, J
.
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(07)
:4324
-4333
←
1
2
3
4
→