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The Journal of Physical Chemistry. B|June 30, 2006
The [BMI][Tf2N] ionic liquid/water binary system: a molecular dynamics study of phase separation and of the liquid-liquid interfaceN Sieffert, G WipffInorganic Chemistry|February 19, 2002
Carbamoylphosphine oxide complexes of trivalent lanthanide cations: role of counterions, ligand binding mode, and protonation investigated by quantum mechanical calculationsC Boehme, G WipffThe Journal of Physical Chemistry. B|October 12, 2010
Strontium nitrate extraction to ionic liquids by a crown ether: a molecular dynamics study of aqueous interfaces with C4mim+- vs C8mim+-based ionic liquidsA Chaumont, G WipffInorganic Chemistry|May 12, 2009
Solvation of Ln((III)) lanthanide cations in the [BMI][SCN], [MeBu(3)N][SCN], and [BMI](5)[Ln(NCS)(8)] ionic liquids: a molecular dynamics studyA Chaumont, G WipffChemistry (Weinheim an Der Bergstrasse, Germany)|May 2, 2001
The energetic and structural effects of steric crowding in phosphate and dithiophosphinate complexes of lanthanide cations M3+: a computational studyC Boehme, G WipffPhysical Chemistry Chemical Physics : PCCP|November 9, 2007
Molecular dynamics study of dicarbollide anions in nitrobenzene solution and at its aqueous interface. Synergistic effect in the Eu(III) assisted extractionG Chevrot, R Schurhammer, G WipffThe Journal of Physical Chemistry. B|July 21, 2006
Aqueous interfaces with hydrophobic room-temperature ionic liquids: a molecular dynamics studyA Chaumont, R Schurhammer, G WipffThe Journal of Physical Chemistry. B|May 12, 2006
Surfactant behavior of "ellipsoidal" dicarbollide anions: a molecular dynamics studyG Chevrot, R Schurhammer, G WipffPhysical Chemistry Chemical Physics : PCCP|September 15, 2006
Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid: Comparison of different solvent modelsG Chevrot, R Schurhammer, G WipffJournal of Molecular Graphics|August 1, 1996
The STATIS method: characterization of conformational states of flexible molecules from molecular dynamics simulations in solutionR Coquet, L Troxler, G WipffPageof 4