V. Tschinke

发表

Predicting binding affinities of protein ligands from three-dimensional models: application to peptide binding to class I major histocompatibility proteins.

D. Rognan, S. Buus, S. Lauemøller, 1999, Journal of medicinal chemistry.

Density functional theory as a practical tool in organometallic energetics and dynamics

V. Tschinke, T. Ziegler, 1991 .

Theoretical study on the relative strengths of the metal-hydrogen and metal-methyl bonds in complexes of middle to late transition metals.

A. Becke, V. Tschinke, T. Ziegler, 1987 .

Gradient corrections to the Hartree-Fock-Slater exchange and their influence on bond energy calculations

V. Tschinke, T. Ziegler, 1991 .

A theoretical study of metal—ligand bond strengths (ML: 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

E. Baerends, V. Tschinke, T. Ziegler, 1988 .

A Theoretical Study on the Relative Strengths of the Metal-Hydrogen and Metal-Methyl Bonds in Complexes of Middle to Late Transition Metals

A. Becke, V. Tschinke, T. Ziegler, 1987 .

Progress in Drug Research / Fortschritte der Arzneimittelforschung / Progrès des Recherches Pharmaceutiques

R. Leurs, N. Cohen, H. Timmerman, 1995, Progress in Drug Research / Fortschritte der Arzneimittelforschung / Progrès des recherches pharmaceutiques.

The NEWLEAD program: a new method for the design of candidate structures from pharmacophoric hypotheses.

N. Cohen, V. Tschinke, Vincenzo Tschinke, 1993, Journal of medicinal chemistry.

The NEWLEAD Program: A New Method for the Design of Candidate Structures from Pharmacophoric Hypotheses.

N. Cohen, V. Tschinke, Nissim Claude Cohen, 1994 .

A theoretical study on the strength of multiple metal-metal bonds in binuclear complexes and transition-metal dimers by a non-local density functional method

A. Becke, V. Tschinke, T. Ziegler, 1987 .

Quantitative Results and Qualitative Analysis by the Hartree-Fock-Slater Transition State Method

V. Tschinke, T. Ziegler, Louis Versluis, 1986 .

Biphenyl derivatives as novel dual NK(1)/NK(2)-receptor antagonists.

V. Tschinke, G. Anderson, R. Mah, 2002, Bioorganic & medicinal chemistry letters.

Calculation of bond energies in compounds of heavy elements by a quasi-relativistic approach

Evert Jan Baerends, Walter Ravenek, J. G. Snijders, 1989 .

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

V. Tschinke, T. Ziegler, Louis Versluis, 1986 .

Theoretical study of Cp2Ti(H)(SiH3) and Cp2TiSiH2 and their possible role in the polymerization of primary organosilanes

V. Tschinke, T. Ziegler, J. Harrod, 1990 .

Thermal stability and kinetic lability of the metal carbonyl bond. A theoretical study on M(CO)6 (M = chromium, molybdenum, tungsten), M(CO)5 (M = iron, ruthenium, osmium), and M(CO)4 (M = nickel, palladium, platinum)

V. Tschinke, T. Ziegler, C. Ursenbach, 1987 .

Improving the oral bioavailability of the iron chelator HBED by breaking the symmetry of the intramolecular H-bond network.

B. Faller, V. Tschinke, C. Spanka, 2000, Journal of medicinal chemistry.

On the different representations of the hole‐correlation functions in the Hartree–Fock and the Hartree–Fock–Slater methods and their influence on bond energy calculations

V. Tschinke, T. Ziegler, 1990 .

On the shape of spherically averaged Fermi-hole correlation functions in density functional theory. 1. Atomic systems

V. Tschinke, T. Ziegler, 1989 .

Generation of new-lead structures in computer-aided drug design.

N C Cohen, V Tschinke, N. Cohen, 1995, Progress in drug research. Fortschritte der Arzneimittelforschung. Progres des recherches pharmaceutiques.

An Evaluation of Local Electron Correlation Corrections and Non-Local Exchange Corrections to the Hartree-Fock-Slater Method from Calculations on Bond Energies and Electronic Spectra of Molecular Systems

V. Tschinke, T. Ziegler, 1987 .

Periodic Trends in the Bond Energies of Transition Metal Complexes: Density Functional Theory

V. Tschinke, T. Ziegler, 1990 .