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MODEL POTENTIAL CALCULATIONS FOR 2ND-ROW TRANSITION-METAL MOLECULES WITHIN THE LOCAL-SPIN-DENSITY METHOD
被引:168
作者
:
ANDZELM, J
论文数:
0
引用数:
0
h-index:
0
ANDZELM, J
RADZIO, E
论文数:
0
引用数:
0
h-index:
0
RADZIO, E
SALAHUB, DR
论文数:
0
引用数:
0
h-index:
0
SALAHUB, DR
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1985年
/ 83卷
/ 09期
关键词
:
D O I
:
10.1063/1.449027
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:4573 / 4580
页数:8
相关论文
共 46 条
[1]
MODEL POTENTIAL STUDY OF THE INTERACTIONS IN AR2, KR2 AND XE2 DIMERS
ANDZELM, J
论文数:
0
引用数:
0
h-index:
0
ANDZELM, J
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
KLOBUKOWSKI, M
论文数:
0
引用数:
0
h-index:
0
KLOBUKOWSKI, M
RADZIO, E
论文数:
0
引用数:
0
h-index:
0
RADZIO, E
[J].
MOLECULAR PHYSICS,
1984,
52
(06)
: 1495
-
1513
[2]
ANDZELM J, J COMPUT CHEM
[3]
PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
BACHELET, GB
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BACHELET, GB
HAMANN, DR
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
HAMANN, DR
SCHLUTER, M
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
SCHLUTER, M
[J].
PHYSICAL REVIEW B,
1982,
26
(08):
: 4199
-
4228
[4]
PSEUDOPOTENTIAL SCF-MO STUDIES OF HYPERVALENT COMPOUNDS .4. STRUCTURE, VIBRATIONAL ASSIGNMENTS, AND INTRAMOLECULAR FORCES IN IF7
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
ROTHMAN, MJ
论文数:
0
引用数:
0
h-index:
0
ROTHMAN, MJ
GAVEZZOTTI, A
论文数:
0
引用数:
0
h-index:
0
GAVEZZOTTI, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(08)
: 4136
-
4143
[5]
Barthelat J, 1978, GAZZ CHIM ITAL, V108, P225
[6]
LCAO LOCAL-SPIN-DENSITY AND X-ALPHA CALCULATIONS FOR CR-2 AND MO-2
BAYKARA, NA
论文数:
0
引用数:
0
h-index:
0
BAYKARA, NA
MCMASTER, BN
论文数:
0
引用数:
0
h-index:
0
MCMASTER, BN
SALAHUB, DR
论文数:
0
引用数:
0
h-index:
0
SALAHUB, DR
[J].
MOLECULAR PHYSICS,
1984,
52
(04)
: 891
-
905
[7]
LOCAL SPIN-DENSITY DESCRIPTION OF MULTIPLE METAL-METAL BONDING - MO2 AND CR-2
BERNHOLC, J
论文数:
0
引用数:
0
h-index:
0
BERNHOLC, J
HOLZWARTH, NAW
论文数:
0
引用数:
0
h-index:
0
HOLZWARTH, NAW
[J].
PHYSICAL REVIEW LETTERS,
1983,
50
(19)
: 1451
-
1454
[8]
ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1.
BONIFACIC, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA, DEPT CHEM, EDMONTON, ALBERTA, CANADA
UNIV ALBERTA, DEPT CHEM, EDMONTON, ALBERTA, CANADA
BONIFACIC, V
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA, DEPT CHEM, EDMONTON, ALBERTA, CANADA
UNIV ALBERTA, DEPT CHEM, EDMONTON, ALBERTA, CANADA
HUZINAGA, S
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(07)
: 2779
-
2786
[9]
RELATIVISTIC CALCULATION OF THE ELECTRONIC-STRUCTURE OF UF6
BORING, M
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, University of California, Los Alamos
BORING, M
WOOD, JH
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, University of California, Los Alamos
WOOD, JH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(01)
: 32
-
41
[10]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
BERNARDI, F
[J].
MOLECULAR PHYSICS,
1970,
19
(04)
: 553
-
&
←
1
2
3
4
5
→
共 46 条
[1]
MODEL POTENTIAL STUDY OF THE INTERACTIONS IN AR2, KR2 AND XE2 DIMERS
ANDZELM, J
论文数:
0
引用数:
0
h-index:
0
ANDZELM, J
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
KLOBUKOWSKI, M
论文数:
0
引用数:
0
h-index:
0
KLOBUKOWSKI, M
RADZIO, E
论文数:
0
引用数:
0
h-index:
0
RADZIO, E
[J].
MOLECULAR PHYSICS,
1984,
52
(06)
: 1495
-
1513
[2]
ANDZELM J, J COMPUT CHEM
[3]
PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
BACHELET, GB
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BACHELET, GB
HAMANN, DR
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
HAMANN, DR
SCHLUTER, M
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
SCHLUTER, M
[J].
PHYSICAL REVIEW B,
1982,
26
(08):
: 4199
-
4228
[4]
PSEUDOPOTENTIAL SCF-MO STUDIES OF HYPERVALENT COMPOUNDS .4. STRUCTURE, VIBRATIONAL ASSIGNMENTS, AND INTRAMOLECULAR FORCES IN IF7
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
ROTHMAN, MJ
论文数:
0
引用数:
0
h-index:
0
ROTHMAN, MJ
GAVEZZOTTI, A
论文数:
0
引用数:
0
h-index:
0
GAVEZZOTTI, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(08)
: 4136
-
4143
[5]
Barthelat J, 1978, GAZZ CHIM ITAL, V108, P225
[6]
LCAO LOCAL-SPIN-DENSITY AND X-ALPHA CALCULATIONS FOR CR-2 AND MO-2
BAYKARA, NA
论文数:
0
引用数:
0
h-index:
0
BAYKARA, NA
MCMASTER, BN
论文数:
0
引用数:
0
h-index:
0
MCMASTER, BN
SALAHUB, DR
论文数:
0
引用数:
0
h-index:
0
SALAHUB, DR
[J].
MOLECULAR PHYSICS,
1984,
52
(04)
: 891
-
905
[7]
LOCAL SPIN-DENSITY DESCRIPTION OF MULTIPLE METAL-METAL BONDING - MO2 AND CR-2
BERNHOLC, J
论文数:
0
引用数:
0
h-index:
0
BERNHOLC, J
HOLZWARTH, NAW
论文数:
0
引用数:
0
h-index:
0
HOLZWARTH, NAW
[J].
PHYSICAL REVIEW LETTERS,
1983,
50
(19)
: 1451
-
1454
[8]
ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1.
BONIFACIC, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA, DEPT CHEM, EDMONTON, ALBERTA, CANADA
UNIV ALBERTA, DEPT CHEM, EDMONTON, ALBERTA, CANADA
BONIFACIC, V
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA, DEPT CHEM, EDMONTON, ALBERTA, CANADA
UNIV ALBERTA, DEPT CHEM, EDMONTON, ALBERTA, CANADA
HUZINAGA, S
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(07)
: 2779
-
2786
[9]
RELATIVISTIC CALCULATION OF THE ELECTRONIC-STRUCTURE OF UF6
BORING, M
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, University of California, Los Alamos
BORING, M
WOOD, JH
论文数:
0
引用数:
0
h-index:
0
机构:
Los Alamos Scientific Laboratory, University of California, Los Alamos
WOOD, JH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(01)
: 32
-
41
[10]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
BERNARDI, F
[J].
MOLECULAR PHYSICS,
1970,
19
(04)
: 553
-
&
←
1
2
3
4
5
→