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Inorganic Chemistry|May 26, 2007
Coordination mode of nitrate in uranyl(VI) complexes: a first-principles molecular dynamics studyMichael Bühl, Romain Diss, Georges WipffInorganic Chemistry|August 20, 2003
Uranyl and strontium salt solvation in room-temperature ionic liquids. A molecular dynamics investigationAlain Chaumont, Etienne Engler, Georges WipffJournal of the American Chemical Society|September 30, 2005
Coordination environment of aqueous uranyl(VI) ionMichael Bühl, Romain Diss, Georges WipffThe Journal of Physical Chemistry. B|April 7, 2022
Liquid-Liquid Extraction of the Eu(III) Cation by BTP Ligands into Ionic Liquids: Interfacial Features and Extraction Mechanisms Investigated by MD SimulationsThomas Mangin, Rachel Schurhammer, Georges WipffChemistry (Weinheim an Der Bergstrasse, Germany)|February 6, 2003
Halide anion capture and recognition by a tetrahedral tetraammonium receptor in water: a molecular dynamics investigationAlain Chaumont, Etienne Engler, Georges WipffChemical Communications (Cambridge, England)|August 31, 2018
Modelling uranyl chemistry in liquid ammonia from density functional theoryNicolas Sieffert, Amol Thakkar, Michael BühlChemistry (Weinheim an Der Bergstrasse, Germany)|June 3, 2015
Enantioselective Arylation of N-Tosylimines by Phenylboronic Acid Catalysed by a Rhodium/Diene Complex: Reaction Mechanism from Density Functional TheoryNicolas Sieffert, Julien Boisson, Sandrine PyThe Journal of Physical Chemistry. A|August 19, 2014
Distributed polarizability models for imidazolium-based ionic liquidsClaude Millot, Alain Chaumont, Etienne Engler, et al.Journal of the American Chemical Society|May 11, 2006
Effect of hydration on coordination properties of uranyl(VI) complexes. A first-principles molecular dynamics studyMichael Bühl, Hendrik Kabrede, Romain Diss, et al.The Journal of Physical Chemistry. B|July 21, 2006
Ab initio molecular dynamics of liquid 1,3-dimethylimidazolium chlorideMichael Bühl, Alain Chaumont, Rachel Schurhammer, et al.Pageof 6