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
125 2011 A dynamic model to explain hydration behaviour along the lanthanide series M Duvail, R Spezia, P Vitorge
ChemPhysChem 9 (5), 693-696, 2008
84 2008 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), 104501, 2009
82 2009 Pair interaction potentials with explicit polarization for molecular dynamics simulations of M Duvail, M Souaille, R Spezia, T Cartailler, P Vitorge
The Journal of chemical physics 127 (3), 034503, 2007
72 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, 2009
50 2009 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
49 2006 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
42 2011 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), 1-22, 2015
37 2015 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
31 2011 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
30 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), 044503, 2011
28 2011 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
27 2016 Mesoscopic modelling of frustration in microemulsions M Duvail, JF Dufrêche, L Arleth, T Zemb
Phys. Chem. Chem. Phys. 15, 7133-7141, 2013
27 2013 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
27 2007 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
23 2013 Atomistic description of binary lanthanoid salt solutions: A coarse-graining approach JJ Molina, M Duvail, JF Dufrêche, P Guilbaud
The Journal of Physical Chemistry B 115 (15), 4329-4340, 2011
21 2011 What first principles molecular dynamics can tell us about EXAFS spectroscopy of radioactive heavy metal cations in water M Duvail, P d'Angelo, MP Gaigeot, P Vitorge, R Spezia
Radiochimica Acta 97 (7), 339-346, 2009
18 2009 Predicting for thermodynamic instabilities in water/oil/surfactant microemulsions: A mesoscopic modelling approach M Duvail, L Arleth, T Zemb, JF Dufrêche
The Journal of chemical physics 140 (16), 164711, 2014
15 2014 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
15 2013 Molecular dynamics to rationalize EXAFS experiments: A dynamical model explaining hydration behaviour across the lanthanoid (III) series R Spezia, M Duvail, P Vitorge, P D'Angelo
Journal of Physics: Conference Series 190 (1), 012056, 2009
15 2009 
Riccardo SpeziaCNRS Research Director, Laboratoire de Chimie Théorique, Sorbonne Universités, ParisAdresse e-mail validée de upmc.fr