| 1 |
Formation of Aqueous Biphasic Systems with an Ionic Liquid Induced by Metallic Salts: Nanoscopic Views from Molecular Dynamics Simulations
Schurhammer R, Wipff G
Journal of Physical Chemistry B, 122(44), 10143, 2018 |
| 2 |
Assembly Mechanism of Zr-Containing and Other TM-Containing Polyoxometalates
Jimenez-Lozano P, Sole-Daura A, Wipff G, Poblet JM, Chaumont A, Carbo JJ
Inorganic Chemistry, 56(7), 4148, 2017 |
| 3 |
Nature of Zr-Monosubstituted Monomeric and Dimeric Polyoxometalates in Water Solution at Different pH Conditions: Static Density Functional Theory Calculations and Dynamic Simulations
Jimenez-Lozano P, Carbo JJ, Chaumont A, Poblet JM, Rodriguez-Fortea A, Wipff G
Inorganic Chemistry, 53(2), 778, 2014 |
| 4 |
Distributed Polarizability Models for Imidazolium-Based Ionic Liquids
Millot C, Chaumont A, Engler E, Wipff G
Journal of Physical Chemistry A, 118(38), 8842, 2014 |
| 5 |
Liquid-Liquid Extraction of Uranyl by TBP: The TBP and Ions Models and Related Interfacial Features Revisited by MD and PMF Simulations
Benay G, Wipff G
Journal of Physical Chemistry B, 118(11), 3133, 2014 |
| 6 |
Ammonium Recognition by 18-Crown-6 in Different Solutions and at an Aqueous Interface: A Simulation Study
Benay G, Wipff G
Journal of Physical Chemistry B, 118(48), 13913, 2014 |
| 7 |
Oil-Soluble and Water-Soluble BTPhens and Their Europium Complexes in Octanol/Water Solutions: Interface Crossing Studied by MD and PMF Simulations
Benay G, Wipff G
Journal of Physical Chemistry B, 117(4), 1110, 2013 |
| 8 |
Liquid-Liquid Extraction of Uranyl by an Amide Ligand: Interfacial Features Studied by MD and PMF Simulations
Benay G, Wipff G
Journal of Physical Chemistry B, 117(24), 7399, 2013 |
| 9 |
Water versus Acetonitrile Coordination to Uranyl. Effect of Chloride Ligands
Buhl M, Sieffert N, Chaumont A, Wipff G
Inorganic Chemistry, 51(3), 1943, 2012 |
| 10 |
Speciation of La(III) Chloride Complexes in Water and Acetonitrile: A Density Functional Study
Buhl M, Sieffert N, Partouche A, Chaumont A, Wipff G
Inorganic Chemistry, 51(24), 13396, 2012 |
