| Revised ionic radii of lanthanoid (III) ions in aqueous solution P D’Angelo, A Zitolo, V Migliorati, G Chillemi, M Duvail, P Vitorge, ... Inorganic chemistry 50 (10), 4572-4579, 2011 | 264 | 2011 |
| Building a polarizable pair interaction potential for lanthanoids (III) in liquid water: A molecular dynamics study of structure and dynamics of the whole series M Duvail, P Vitorge, R Spezia The Journal of chemical physics 130 (10), 2009 | 108 | 2009 |
| A dynamic model to explain hydration behaviour along the lanthanide series M Duvail, R Spezia, P Vitorge ChemPhysChem 9 (5), 693-696, 2008 | 106 | 2008 |
| Using microemulsions: formulation based on knowledge of their mesostructure M Gradzielski, M Duvail, PM de Molina, M Simon, Y Talmon, T Zemb Chemical reviews 121 (10), 5671-5740, 2021 | 100 | 2021 |
| Pair interaction potentials with explicit polarization for molecular dynamics simulations of La3+ in bulk water M Duvail, M Souaille, R Spezia, T Cartailler, P Vitorge The Journal of chemical physics 127 (3), 2007 | 86 | 2007 |
| Molecular dynamics studies of concentrated binary aqueous solutions of lanthanide salts: structures and exchange dynamics M Duvail, A Ruas, L Venault, P Moisy, P Guilbaud Inorganic chemistry 49 (2), 519-530, 2010 | 84 | 2010 |
| Recycling metals by controlled transfer of ionic species between complex fluids: en route to “ienaics” T Zemb, C Bauer, P Bauduin, L Belloni, C Déjugnat, O Diat, V Dubois, ... Colloid and Polymer Science 293, 1-22, 2015 | 75 | 2015 |
| Complexation of lanthanides (III), americium (III), and uranium (VI) with bitopic N, O ligands: an experimental and theoretical study C Marie, M Miguirditchian, D Guillaumont, A Tosseng, C Berthon, ... Inorganic chemistry 50 (14), 6557-6566, 2011 | 66 | 2011 |
| A Coupled Car-Parrinello Molecular Dynamics and EXAFS Data Analysis Investigation of Aqueous Co2+ R Spezia, M Duvail, P Vitorge, T Cartailler, J Tortajada, G Chillemi, ... The Journal of Physical Chemistry A 110 (48), 13081-13088, 2006 | 63 | 2006 |
| How ion condensation occurs at a charged surface: A molecular dynamics investigation of the stern layer for water–silica interfaces S Hocine, R Hartkamp, B Siboulet, M Duvail, B Coasne, P Turq, ... The Journal of Physical Chemistry C 120 (2), 963-973, 2016 | 58 | 2016 |
| Accounting for adsorption and desorption in lattice Boltzmann simulations M Levesque, M Duvail, I Pagonabarraga, D Frenkel, B Rotenberg Physical Review E 88 (1), 013308, 2013 | 50 | 2013 |
| Understanding the nitrate coordination to Eu 3+ ions in solution by potential of mean force calculations M Duvail, P Guilbaud Physical Chemistry Chemical Physics 13 (13), 5840-5847, 2011 | 47 | 2011 |
| Mesoscopic modelling of frustration in microemulsions M Duvail, JF Dufrêche, L Arleth, T Zemb Phys. Chem. Chem. Phys. 15, 7133-7141, 2013 | 39 | 2013 |
| Polarizable interaction potential for molecular dynamics simulations of actinoids (III) in liquid water M Duvail, F Martelli, P Vitorge, R Spezia The Journal of chemical physics 135 (4), 2011 | 39 | 2011 |
| UO 2 2+ structure in solvent extraction phases resolved at molecular and supramolecular scales: a combined molecular dynamics, EXAFS and SWAXS approach M Duvail, T Dumas, A Paquet, A Coste, L Berthon, P Guilbaud Physical Chemistry Chemical Physics 21 (15), 7894-7906, 2019 | 34 | 2019 |
| Temperature dependence of hydrated La3+ properties in liquid water, a molecular dynamics simulations study M Duvail, R Spezia, T Cartailler, P Vitorge Chemical Physics Letters 448 (1-3), 41-45, 2007 | 32 | 2007 |
| Stability of reverse micelles in rare-earth separation: a chemical model based on a molecular approach Y Chen, M Duvail, P Guilbaud, JF Dufrêche Physical Chemistry Chemical Physics 19 (10), 7094-7100, 2017 | 29 | 2017 |
| Thermodynamics of associated electrolytes in water: Molecular dynamics simulations of sulfate solutions M Duvail, A Villard, TN Nguyen, JF Dufrêche The Journal of Physical Chemistry B 119 (34), 11184-11195, 2015 | 27 | 2015 |
| Numerical homogenization of electrokinetic equations in porous media using lattice-Boltzmann simulations A Obliger, M Duvail, M Jardat, D Coelho, S Békri, B Rotenberg Physical Review E 88 (1), 013019, 2013 | 27 | 2013 |
| Reverse Aggregates as Adaptive Self‐Assembled Systems for Selective Liquid‐Liquid Cation Extraction T Zemb, M Duvail, JF Dufrêche Israel Journal of Chemistry 53 (1‐2), 108-112, 2013 | 26 | 2013 |
Riccardo SpeziaCNRS Research Director, Laboratoire de Chimie Théorique, Sorbonne Universités, ParisVerified email at upmc.fr
