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ABINITIO MOLECULAR-ORBITAL STUDIES OF CATALYTIC ELEMENTARY REACTIONS AND CATALYTIC CYCLES OF TRANSITION-METAL COMPLEXES
被引:316
作者
:
KOGA, N
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Molecular Science, Myodaiji
KOGA, N
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
Institute for Molecular Science, Myodaiji
MOROKUMA, K
机构
:
[1]
Institute for Molecular Science, Myodaiji
来源
:
CHEMICAL REVIEWS
|
1991年
/ 91卷
/ 05期
关键词
:
POTENTIAL-ENERGY SURFACES;
EFFECTIVE CORE POTENTIALS;
C-C BONDS;
PAIRED INTERACTING ORBITALS;
COORDINATED CARBON-MONOXIDE;
SUPPORTED RHODIUM CATALYSTS;
XY = CO;
OXIDATIVE ADDITION;
ELECTRONIC STATES;
REDUCTIVE ELIMINATION;
D O I
:
10.1021/cr00005a010
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
[No abstract available]
引用
收藏
页码:823 / 842
页数:20
相关论文
共 202 条
[1]
Albright T.A., 1985, ORBITAL INTERACTIONS
[2]
A THEORETICAL-STUDY OF SOME COBALT CARBONYL-COMPLEXES PRESENT IN THE CATALYTIC CYCLE OF HYDROFORMYLATION
ANTOLOVIC, D
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
ANTOLOVIC, D
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
DAVIDSON, ER
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1987,
109
(19)
: 5828
-
5840
[3]
THEORETICAL-STUDY OF HYDRIDOCOBALT CARBONYLS
ANTOLOVIC, D
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
ANTOLOVIC, D
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
DAVIDSON, ER
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1987,
109
(04)
: 977
-
985
[4]
A THEORETICAL-STUDY OF HYDRIDOCOBALT CARBONYLS .2. INTERDEPENDENCE OF GEOMETRY AND ELECTRONIC-STRUCTURE
ANTOLOVIC, D
论文数:
0
引用数:
0
h-index:
0
ANTOLOVIC, D
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(08)
: 4967
-
4978
[5]
THE CHEMISTRY OF ATOMIC TRANSITION-METAL IONS - INSIGHT INTO FUNDAMENTAL-ASPECTS OF ORGANOMETALLIC CHEMISTRY
ARMENTROUT, PB
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
ARMENTROUT, PB
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 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
BEAUCHAMP, JL
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1989,
22
(09)
: 315
-
321
[6]
A MOLECULAR-ORBITAL STUDY OF METHYL MIGRATION IN PENTACARBONYLMETHYLMANGANESE(I)
AXE, FU
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,ARLINGTON,TX 76019
UNIV TEXAS,DEPT CHEM,ARLINGTON,TX 76019
AXE, FU
MARYNICK, DS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,ARLINGTON,TX 76019
UNIV TEXAS,DEPT CHEM,ARLINGTON,TX 76019
MARYNICK, DS
[J].
ORGANOMETALLICS,
1987,
6
(03)
: 572
-
580
[7]
ENERGETICS OF THE REACTION MN(H)(CO)-]MN(HCO)
AXE, FU
论文数:
0
引用数:
0
h-index:
0
AXE, FU
MARYNICK, DS
论文数:
0
引用数:
0
h-index:
0
MARYNICK, DS
[J].
CHEMICAL PHYSICS LETTERS,
1987,
141
(05)
: 455
-
458
[8]
CHEMICAL ORIGINS OF SUBSTITUENT EFFECTS IN ALKYLPENTACARBONYLMANGANESE(I) GROUP MIGRATION REACTIONS
AXE, FU
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, ARLINGTON, TX 76019 USA
UNIV TEXAS, DEPT CHEM, ARLINGTON, TX 76019 USA
AXE, FU
MARYNICK, DS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, ARLINGTON, TX 76019 USA
UNIV TEXAS, DEPT CHEM, ARLINGTON, TX 76019 USA
MARYNICK, DS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1988,
110
(12)
: 3728
-
3734
[9]
BACKVALL JE, 1984, J AM CHEM SOC, V106, P4369
[10]
ELECTRONIC STATES AND POTENTIAL-ENERGY SURFACES OF AGH2 - COMPARISON WITH AUH2
BALASUBRAMANIAN, K
论文数:
0
引用数:
0
h-index:
0
BALASUBRAMANIAN, K
LIAO, MZ
论文数:
0
引用数:
0
h-index:
0
LIAO, MZ
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1989,
93
(01)
: 89
-
94
←
1
2
3
4
5
6
7
8
9
10
→
共 202 条
[1]
Albright T.A., 1985, ORBITAL INTERACTIONS
[2]
A THEORETICAL-STUDY OF SOME COBALT CARBONYL-COMPLEXES PRESENT IN THE CATALYTIC CYCLE OF HYDROFORMYLATION
ANTOLOVIC, D
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
ANTOLOVIC, D
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
DAVIDSON, ER
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1987,
109
(19)
: 5828
-
5840
[3]
THEORETICAL-STUDY OF HYDRIDOCOBALT CARBONYLS
ANTOLOVIC, D
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
ANTOLOVIC, D
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
DAVIDSON, ER
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1987,
109
(04)
: 977
-
985
[4]
A THEORETICAL-STUDY OF HYDRIDOCOBALT CARBONYLS .2. INTERDEPENDENCE OF GEOMETRY AND ELECTRONIC-STRUCTURE
ANTOLOVIC, D
论文数:
0
引用数:
0
h-index:
0
ANTOLOVIC, D
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(08)
: 4967
-
4978
[5]
THE CHEMISTRY OF ATOMIC TRANSITION-METAL IONS - INSIGHT INTO FUNDAMENTAL-ASPECTS OF ORGANOMETALLIC CHEMISTRY
ARMENTROUT, PB
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
ARMENTROUT, PB
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 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
BEAUCHAMP, JL
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1989,
22
(09)
: 315
-
321
[6]
A MOLECULAR-ORBITAL STUDY OF METHYL MIGRATION IN PENTACARBONYLMETHYLMANGANESE(I)
AXE, FU
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,ARLINGTON,TX 76019
UNIV TEXAS,DEPT CHEM,ARLINGTON,TX 76019
AXE, FU
MARYNICK, DS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,ARLINGTON,TX 76019
UNIV TEXAS,DEPT CHEM,ARLINGTON,TX 76019
MARYNICK, DS
[J].
ORGANOMETALLICS,
1987,
6
(03)
: 572
-
580
[7]
ENERGETICS OF THE REACTION MN(H)(CO)-]MN(HCO)
AXE, FU
论文数:
0
引用数:
0
h-index:
0
AXE, FU
MARYNICK, DS
论文数:
0
引用数:
0
h-index:
0
MARYNICK, DS
[J].
CHEMICAL PHYSICS LETTERS,
1987,
141
(05)
: 455
-
458
[8]
CHEMICAL ORIGINS OF SUBSTITUENT EFFECTS IN ALKYLPENTACARBONYLMANGANESE(I) GROUP MIGRATION REACTIONS
AXE, FU
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, ARLINGTON, TX 76019 USA
UNIV TEXAS, DEPT CHEM, ARLINGTON, TX 76019 USA
AXE, FU
MARYNICK, DS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, DEPT CHEM, ARLINGTON, TX 76019 USA
UNIV TEXAS, DEPT CHEM, ARLINGTON, TX 76019 USA
MARYNICK, DS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1988,
110
(12)
: 3728
-
3734
[9]
BACKVALL JE, 1984, J AM CHEM SOC, V106, P4369
[10]
ELECTRONIC STATES AND POTENTIAL-ENERGY SURFACES OF AGH2 - COMPARISON WITH AUH2
BALASUBRAMANIAN, K
论文数:
0
引用数:
0
h-index:
0
BALASUBRAMANIAN, K
LIAO, MZ
论文数:
0
引用数:
0
h-index:
0
LIAO, MZ
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1989,
93
(01)
: 89
-
94
←
1
2
3
4
5
6
7
8
9
10
→