ABINITIO MOLECULAR-ORBITAL STUDIES OF CATALYTIC ELEMENTARY REACTIONS AND CATALYTIC CYCLES OF TRANSITION-METAL COMPLEXES

被引：316

作者：

KOGA, N

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

页码：823 / 842

页数：20

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
DAVIDSON, ER
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (19) : 5828 - 5840
[3] THEORETICAL-STUDY OF HYDRIDOCOBALT CARBONYLS
ANTOLOVIC, D
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
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
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
MARYNICK, DS
[J]. ORGANOMETALLICS, 1987, 6 (03) : 572 - 580
[7] ENERGETICS OF THE REACTION MN(H)(CO)-]MN(HCO)
AXE, FU
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
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
LIAO, MZ
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (01) : 89 - 94

← 1 2 3 4 5 6 7 8 9 10 →