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Chloride Complexation by Uranyl in a Room Temperature Ionic Liquid. A Computational Study
 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 Study
Polyoxometalate Keggin Anions at Aqueous Interfaces with Organic Solvents, Ionic Liquids, and Graphite: a Molecular Dynamics Study
Ion aggregation in concentrated aqueous and methanol solutions of polyoxometallates Keggin anions: the effect of counterions investigated by molecular dynamics simulations
Solvation of “big” spherical solutes in room temperature ionic liquids and at their aqueous interface: A molecular dynamics simulation study
Do Keggin anions repulse each other in solution? The effect of solvent, counterions and ion representation investigated by free energy (PMF) simulations
 Strontium Nitrate Extraction to Ionic Liquids by a Crown Ether: A Molecular Dynamics Study of Aqueous Interfaces with C 4 mim + - vs C 8 mim + -Based Ionic Liquids
Halide anion solvation and recognition by a macrotricyclic tetraammonium host in an ionic liquid: a molecular dynamics study
 Solvation of uranyl–CMPO complexes in dry vs. humid forms of the [BMI][PF 6 ] ionic liquid. A molecular dynamics study
Importance of the Liquid−Liquid Interface in Assisted Ion Extraction: New Molecular Dynamics Studies of Cesium Picrate Extraction by a Calix[4]arene
Water versus Acetonitrile Coordination to Uranyl. Effect of Chloride Ligands
Water versus Acetonitrile Coordination to Uranyl. Density Functional Study of Cooperative Polarization Effects in Solution
Competitive Complexation of Nitrates and Chlorides to Uranyl in a Room Temperature Ionic Liquid
Assembly Mechanism of Zr-Containing and Other TM-Containing Polyoxometalates

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