Magali Duvail
Magali Duvail
CEA - Physical Sciences Division researcher
Adresse e-mail validée de cea.fr - Page d'accueil
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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
1362011
A dynamic model to explain hydration behaviour along the lanthanide series
M Duvail, R Spezia, P Vitorge
ChemPhysChem 9 (5), 693-696, 2008
862008
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
852009
Pair interaction potentials with explicit polarization for molecular dynamics simulations of in bulk water
M Duvail, M Souaille, R Spezia, T Cartailler, P Vitorge
The Journal of chemical physics 127 (3), 034503, 2007
732007
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
522009
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
492006
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
442011
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
402015
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
332013
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
332011
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
322016
Mesoscopic modelling of frustration in microemulsions
M Duvail, JF Dufrêche, L Arleth, T Zemb
Phys. Chem. Chem. Phys. 15, 7133-7141, 2013
292013
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
292011
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
272007
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
242013
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
222011
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
192009
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
162013
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
152014
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
152009
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