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Journal of Computational Chemistry|October 24, 2002
Macrotricyclic quaternary tetraammonium receptors: halide anion recognition and interfacial activity at an aqueous interface. A molecular dynamics investigationAlain Chaumont, Georges WipffChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 1, 2011
Insights into uranyl chemistry from molecular dynamics simulationsMichael Bühl, Georges WipffPhysical Chemistry Chemical Physics : PCCP|September 30, 2009
Lanthanide cation extraction by malonamide ligands: from liquid-liquid interfaces to microemulsions. A molecular dynamics study?Romain Diss, Georges WipffChemistry (Weinheim an Der Bergstrasse, Germany)|August 19, 2004
Solvation of uranyl(II), europium(III) and europium(II) cations in "basic" room-temperature ionic liquids: a theoretical studyAlain Chaumont, Georges WipffThe Journal of Physical Chemistry. B|July 21, 2006
Uranyl extraction by beta-diketonate ligands to SC-CO2: theoretical studies on the effect of ligand fluorination and on the synergistic effect of TBPNicolas Galand, Georges WipffThe Journal of Physical Chemistry. B|February 23, 2011
Liquid-liquid extraction of pertechnetic acid (TcVII) by tri-n-butyl phosphate: where is the proton? A molecular dynamics investigationRachel Schurhammer, Georges WipffPhysical Chemistry Chemical Physics : PCCP|February 17, 2006
Solvation of uranyl-CMPO complexes in dry vs. humid forms of the [BMI][PF6] ionic liquid. A molecular dynamics studyAlain Chaumont, Georges WipffThe Journal of Physical Chemistry. B|August 30, 2008
Chloride complexation by uranyl in a room temperature ionic liquid. A computational studyAlain Chaumont, Georges WipffInorganic Chemistry|April 23, 2009
Noncovalent interactions in a transition-metal triphenylphosphine complex: a density functional case studyNicolas Sieffert, Michael BühlJournal of the American Chemical Society|May 21, 2010
Hydrogen generation from alcohols catalyzed by ruthenium-triphenylphosphine complexes: multiple reaction pathwaysNicolas Sieffert, Michael BühlPageof 6