ENERGETICS OF INTERMEDIATES AND REACTION STEPS INVOLVED IN THE HYDROFORMYLATION REACTION CATALYZED BY HCO(CO)4 - A THEORETICAL-STUDY BASED ON DENSITY FUNCTIONAL THEORY

被引：71

作者：

VERSLUIS, L

ZIEGLER, T

BAERENDS, EJ

RAVENEK, W

机构：

[1] UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA

[2] FREE UNIV AMSTERDAM,DEPT THEORET CHEM,1007 MC AMSTERDAM,NETHERLANDS

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1989年 / 111卷 / 06期

关键词：

D O I：

10.1021/ja00188a011

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：2018 / 2025

页数：8

共 70 条

[61]

Wojcicki A., 1973, ADV ORGANOMET CHEM, V11, P87

[62] THEORETICAL-STUDY OF THE TRIPLE METAL BOND IN D3-D3 BINUCLEAR COMPLEXES OF CHROMIUM, MOLYBDENUM, AND TUNGSTEN BY THE HARTREE-FOCK-SLATER TRANSITION-STATE METHOD [J].

ZIEGLER, T .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (26) :7543-7549

[63] THEORETICAL-STUDY OF MULTIPLE METAL-METAL BONDS IN BINUCLEAR COMPLEXES OF GROUP-6D AND GROUP-7D TRANSITION-ELEMENTS WITH THE GENERAL FORMULA M2CL4(PH3)4(N+) (N = 0, 1, 2) BY THE HARTREE-FOCK-SLATER TRANSITION-STATE METHOD [J].

ZIEGLER, T .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (20) :5901-5908

[64] MIGRATORY APTITUDE OF HYDRIDE AND METHYL TOWARD CARBON-MONOXIDE, THIOCARBONYL, AND CARBENE IN RMN(CO)4XY (XY = CO, CS, CH2 - R = H, CH3) - A THEORETICAL-STUDY BY THE HARTREE-FOCK-SLATER TRANSITION-STATE METHOD [J].

ZIEGLER, T ;

VERSLUIS, L ;

TSCHINKE, V .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (04) :612-617

[65] THEORETICAL-STUDY ON THE QUADRUPLE METAL BOND IN D4-D4 BINUCLEAR TETRACARBOXYLATE COMPLEXES OF CHROMIUM, MOLYBDENUM, AND TUNGSTEN BY THE HARTREE-FOCK-SLATER TRANSITION-STATE METHOD [J].

ZIEGLER, T .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (15) :4453-4459

[66] A THEORETICAL-STUDY ON THE RELATIVE STRENGTHS OF THE METAL HYDROGEN AND METAL METHYL BONDS IN COMPLEXES OF MIDDLE TO LATE TRANSITION-METALS [J].

ZIEGLER, T ;

TSCHINKE, V ;

BECKE, A .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (05) :1351-1358

[67] THERMAL-STABILITY AND KINETIC LABILITY OF THE METAL-CARBONYL BOND - A THEORETICAL-STUDY ON M(CO)6 (M = CR, MO, W), M(CO)5 (M = FE, RU, OS), AND M(CO)4 (M = NI, PD, PT) [J].

ZIEGLER, T ;

TSCHINKE, V ;

URSENBACH, C .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (16) :4825-4837

[68]

ZIEGLER T, 1977, THEOR CHIM ACTA, V46, P1, DOI 10.1007/BF02401406

[69]

ZIEGLER T, IN PRESS POLYHEDRON

[70]

[No title captured]

← 1 2 3 4 5 6 7 →