Georges Wipff

Overview

Best Publications

• Stereochemistry of reaction paths at carbonyl centres

  H.B. B:urgi;J.D. Dunitz;J.M. Lehn;G. Wipff

  980
  Citations

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

  Georges Wipff;Paul Weiner;Peter Kollman

  372
  Citations

• Ab initio study of nucleophilic addition to a carbonyl group

  H. B. Buergi;J. M. Lehn;G. Wipff

  260
  Citations

• Ab initio molecular dynamics of liquid 1,3-dimethylimidazolium chloride.

  Michael Bühl;Alain Chaumont;Rachel Schurhammer;Georges Wipff

  237
  Citations

• Luminescent Lanthanide Complexes of a Bis-bipyridine-phosphine-oxide Ligand as Tools for Anion Detection

  Loïc J Charbonnière;Raymond Ziessel;Marco Montalti;Luca Prodi

  231
  Citations

• Stereoelectronic effects. 5. Stereoelectronic properties, stereospecificity, and stabilization of .alpha.-oxa and .alpha.-thia carbanions

  Jean M. Lehn;Georges Wipff

  213
  Citations

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

  Regula Walser;Alan E. Mark;Wilfred F. van Gunsteren;Monika Lauterbach

  189
  Citations

• Force field representation of the UO22+ cation from free energy MD simulations in water. Tests on its 18-crown-6 and NO3− adducts, and on its calix[6]arene6− and CMPO complexes

  P. Guilbaud;G. Wipff

  185
  Citations

• TBP at the Water−Oil Interface: The Effect of TBP Concentration and Water Acidity Investigated by Molecular Dynamics Simulations

  M. Baaden;and M. Burgard;G. Wipff

  184
  Citations

• The [BMI][Tf2N] ionic liquid/water binary system: a molecular dynamics study of phase separation and of the liquid-liquid interface.

  Sieffert N;Wipff G

  159
  Citations

• Monte Carlo study of the conformation-dependent hydration of the 18-crown-6 macrocycle

  G. Ranghino;S. Romans;J. M. Lehn;Georges Wipff

  159
  Citations

• Aqueous interfaces with hydrophobic room-temperature ionic liquids: a molecular dynamics study.

  Alain Chaumont;Rachel Schurhammer;Georges Wipff

  156
  Citations

• Effect of hydration on coordination properties of uranyl(VI) complexes. A first-principles molecular dynamics study.

  Michael Bühl;Hendrik Kabrede;Romain Diss;Georges Wipff

  150
  Citations

• Coordination environment of aqueous uranyl(VI) ion.

  Michael Bühl;Romain Diss;Georges Wipff

  149
  Citations

• Solvation of uranyl(II) and europium(III) cations and their chloro complexes in a room-temperature ionic liquid. A theoretical study of the effect of solvent "humidity".

  Alain Chaumont;Georges Wipff

  137
  Citations

• Migration of Ionophores and Salts through a Water−Chloroform Liquid−Liquid Interface: Molecular Dynamics−Potential of Mean Force Investigations

  M. Lauterbach;E. Engler;N. Muzet;L. Troxler

  125
  Citations

• Hydration of uranyl (UO22+) cation and its nitrate ion and 18-crown-6 adducts studied by molecular dynamics simulations

  Unknown

  124
  Citations

• Uranyl Coordination in Ionic Liquids: The Competition between Ionic Liquid Anions, Uranyl Counterions, and Cl- Anions Investigated by Extended X-ray Absorption Fine Structure and UV−Visible Spectroscopies and Molecular Dynamics Simulations

  C. Gaillard;A. Chaumont;I. Billard;C. Hennig

  120
  Citations

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

  Georges Wipff;Andrew Dearing;Paul K. Weiner;Jeffrey M. Blaney

  118
  Citations

• Monte Carlo simulations on the like-charged guanidinium-guanidinium ion pair in water

  Stephane. Boudon;Georges. Wipff;Bernard. Maigret

  116
  Citations

• Demixing of Binary Water−Chloroform Mixtures Containing Ionophoric Solutes and Ion Recognition at a Liquid−Liquid Interface: A Molecular Dynamics Study

  N. Muzet;and E. Engler;G. Wipff

  113
  Citations