Georges Wipff

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Assessment of the Macrocyclic Effect for the Complexation of Crown-Ethers with Alkali Cations Using the Substructural Molecular Fragments Method

Alexandre Varnek, Vitaly P. Solov'ev, Georges Wipff, 2002, J. Chem. Inf. Comput. Sci..

An application of the Miertus‐Scrocco‐Tomasi solvation model in molecular mechanics and dynamics simulations

Alexandre Varnek, D. Feil, Georges Wipff, 1995, J. Comput. Chem..

Theoretical calculations of extraction selectivity: Alkali cation complexes of calix[4]-bis-crown6 in pure water, chloroform, and at a water/chloroform interface

Alexandre Varnek, Georges Wipff, 1996, J. Comput. Chem..

Modeling of Ion Complexation and Extraction Using Substructural Molecular Fragments

Alexandre Varnek, Vitaly P. Solov'ev, Georges Wipff, 2000, J. Chem. Inf. Comput. Sci..

van der Waals host-guest complexes: Can one predict complexation selectivity of neutral guests by a cryptophane? MD-FEP studies in gas phase and chloroform solution

Alexandre Varnek, Georges Wipff, Severine Helissen, 1998, J. Comput. Chem..

TOWARDS AN INFORMATION SYSTEM ON SOLVENT EXTRACTION

Alexandre Varnek, Vitaly P. Solov'ev, Georges Wipff, 2001 .

High temperature annealed molecular dynamics simulations as a tool for conformational sampling. Application to the bicyclic “222” cryptand

Georges Wipff, P. Auffinger, P. Auffinger, 1990 .

Luminescent lanthanide complexes of a bis-bipyridine-phosphine-oxide ligand as tools for anion detection.

Georges Wipff, Raymond Ziessel, Luca Prodi, 2002, Journal of the American Chemical Society.

Molecular mechanics studies of enzyme-substrate interactions: the interaction of L- and D-N-acetyltryptophanamide with α-chymotrypsin

Peter A. Kollman, Paul K. Weiner, Jeffrey M. Blaney, 1983 .

A molecular-mechanics study of 18-crown-6 and its alkali complexes: an analysis of structural flexibility, ligand specificity, and the macrocyclic effect

Peter A. Kollman, Paul K. Weiner, Georges Wipff, 1982 .

Stereoelectronic Properties of Tetrahedral Species Derived from Carbonyl Groups. Ab initio study of aminodihydroxymethane, CH(OH)2NH2, a model tetrahedral intermediate in amide hydrolysis

Georges Wipff, Jean-Marie Lehn, J. Lehn, 1978 .

Complexation of phosphoryl-containing mono-, bi- and tri-podands with alkali cations in acetonitrile. Structure of the complexes and binding selectivity

Alexandre Varnek, Vitaly P. Solov'ev, Georges Wipff, 1998 .

Ab initio and crystal structure analysis of like-charged ion pairs

Jiali Gao, Georges Wipff, Jiali Gao, 1991 .

A distance geometry study of ring systems

Robert Langridge, Irwin D. Kuntz, Peter A. Kollman, 1983 .

Stereoelectronic control in acid and base catalysis of amide hydrolysis. A theoretical study

Georges Wipff, Jean-Marie Lehn, 1980 .

The effect of force-field parameters on properties of liquids: Parametrization of a simple three-site model for methanol

Wilfred F. van Gunsteren, Alan E. Mark, Georges Wipff, 2000 .

Ion aggregation in concentrated aqueous and methanol solutions of polyoxometallates Keggin anions: the effect of counterions investigated by molecular dynamics simulations.

Georges Wipff, G. Wipff, A. Chaumont, 2008, Physical chemistry chemical physics : PCCP.

Assessment of the Macrocyclic Effect for the Complexation of Crown-Ethers with Alkali Cations Using the Substructural Molecular Fragments Method.

Alexandre Varnek, Vitaly P. Solov'ev, Georges Wipff, 2002 .