Versluis, Louis : rechercher sur Z-Library

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1

The determination of molecular structures by density functional theory. The evaluation of analytical energy gradients by numerical integration

Versluis, Louis, Ziegler, Tom

Journal:

The Journal of Chemical Physics

Année:

1988

Langue:

english

Fichier:

PDF, 813 KB

english, 1988

2

Calculation of harmonic frequencies and harmonic force fields by the hartree-fock-slater method

Liangyou Fan, Louis Versluis, Tom Ziegler, Evert Jan Baerends, Walter Ravenek

Journal:

International Journal of Quantum Chemistry

Année:

1988

Langue:

english

Fichier:

PDF, 459 KB

english, 1988

3

A theoretical study of metal—ligand bond strengths (ML: L = OH, OCH3, SH, NH2, PH2, CH3, SiH3, CN and H) in the early transition metal systems Cl3ML (M = Ti, Zr and Hf) and late transition metal systems LCo(CO)4

Tom Ziegler, Vincenzo Tschinke, Louis Versluis, Evert Jan Baerends, Walter Ravenek

Journal:

Année:

1988

Langue:

english

Fichier:

PDF, 1.16 MB

english, 1988

4

Migratory aptitude of hydride and methyl towards carbon monoxide, thiocarbonyl, and carbene in RMn(CO)4XY (XY = CO, CS, CH2; R = H, Me). A theoretical study by the Hartree-Fock-Slater transition-state method

Ziegler, Tom., Versluis, Louis., Tschinke, Vincenzo.

Journal:

Journal of the American Chemical Society

Année:

1986

Langue:

english

Fichier:

PDF, 716 KB

english, 1986

5

Theoretical study on H2-induced acetaldehyde elimination from cobalt complex CH3(O)CCo(CO)3

Versluis, Louis, Ziegler, Tom

Journal:

Organometallics

Année:

1990

Langue:

english

Fichier:

PDF, 4.09 MB

english, 1990

6

Theoretical study on the insertion of formaldehyde into the cobalt-hydrogen bond

Versluis, Louis, Ziegler, Tom

Journal:

Journal of the American Chemical Society

Année:

1990

Langue:

english

Fichier:

PDF, 720 KB

english, 1990

7

A theoretical study on the insertion of ethylene into the cobalt-hydrogen bond

Versluis, Louis, Ziegler, Tom, Fan, Liangyou

Journal:

Inorganic Chemistry

Année:

1990

Langue:

english

Fichier:

PDF, 2.57 MB

english, 1990

8

Energetics of intermediates and reaction steps involved in the hydroformylation reaction catalyzed by HCo(CO)4. A theoretical study based on density functional theory

Versluis, Louis, Ziegler, Tom, Baerends, E. J., Ravenek, W.

Journal:

Journal of the American Chemical Society

Année:

1989

Langue:

english

Fichier:

PDF, 1010 KB

english, 1989