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D

Duvail, Magali

univ. montpellier

0H-index
1Paper Count
0Citation Count
Published Papers 21
Publication Date
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Insights from molecular dynamics: What drives the Eu(NO3)3 aggregate formation in solvent extraction?
errJournal of Molecular Liquids
IF5.2
err2025-10-11
err0
errOAAI
errLara Žiberna; Philippe Guilbaud; Erwann Guillam; Magali Duvail
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Structure and chemistry of uranium dioxide (UO2) in water from first-principles molecular dynamics simulations
errCOLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
IF5.4
err2025-06-10
err0
PREAI
errRodrik, G.; Foucaud, Y.; Siboulet, B.; Duvail, M.; Szenknect, S.; Dufreche, J. -f.
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Lipophilic EDTA-based ligands in different diluents for the extraction of rare earths: Preliminary results with Nd(III), Dy(III) and Pr(III) in chloride and nitrate media
errHYDROMETALLURGY
IF5.3
err2025-01-01
err0
errOAAI
errSukhbaatar, Tamir; Piton, Raphaelle; Giusti, Fabrice; Arrachart, Guilhem; Duvail, Magali; Kumari, Aarti; Daware, Santosh; Gupta, Shally; Goverapet, Sriram; Sahu, Sushanta Kumar; Rai, Beena; Pellet-Rostaing, Stephane
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Modeling Lanthanide Ions in Solution: A Versatile Force Field in Aqueous and Organic Solvents
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-15
err8
PREAI
errDuvail, Magali; Martinez, Diego Moreno; Ziberna, Lara; Guillam, Erwann; Dufreche, Jean-Francois; Guilbaud, Philippe
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Chemical models for dense solutions
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
errOAAI
errDufreche, J. -F.; Siboulet, B.; Duvail, M.
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Contribution of Molecular Dynamics in pNMR for the Structural Determination of AnV and AnVI Complexes in Solution
errINORGANIC CHEMISTRY
IF4.7
err2022-09-27
err2
errOAAI
errPoulin-Ponnelle, Clovis; Duvail, Magali; Dumas, Thomas; Berthon, Claude
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Molecular dynamics simulations of Eu(NO3)3 salt with DMDOHEMA in n-alkanes: Unravelling curvature properties in liquid-liquid extraction
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2022-02-01
err3
errOAAI
errStemplinger, Simon; Duvail, Magali; Dufreche, Jean-Francois
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On interactions in binary mixtures used in solvent extraction: Insights from combined Isothermal Titration Calorimetry experiments and Molecular Dynamics simulations
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2022-01-01
err3
errOAAI
errCoquil, Mathilde; Boubals, Nathalie; Duvail, Magali; Charbonnel, Marie-Christine; Dufreche, Jean-Francois
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Deciphering second harmonic generation signals
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err10
errOAAI
errFoucaud, Yann; Siboulet, Bertrand; Duvail, Magali; Jonchere, Alban; Diat, Olivier; Vuilleumier, Rodolphe; Dufreche, Jean-Francois
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Probing the existence of uranyl trisulfate structures in the AMEX solvent extraction process
errCHEMICAL COMMUNICATIONS
IF4.2
err2019-01-01
err16
errOAAI
errSukhbaatar, Tamir; Duvail, Magali; Dumas, Thomas; Dourdain, Sandrine; Arrachart, Guilhem; Solari, Pier Lorenzo; Guilbaud, Philippe; Pellet-Rostaing, Stephane
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A Combined Spectroscopic/Molecular Dynamic Study for Investigating a Methyl-Carboxylated PEI as a Potential Uranium Decorporation Agent
errINORGANIC CHEMISTRY
IF4.7
err2017-01-17
err17
PREAI
errLahrouch, Florian; Chamayou, Anne Christine; Creff, Gaelle; Duvail, Magali; Hennig, Christoph; Rodriguez, Marisol Janeth Lozano; Den Auwer, Christophe; Di Giorgio, Christophe
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How Ion Condensation Occurs at a Charged Surface: A Molecular Dynamics Investigation of the Stern Layer for Water-Silica Interfaces
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2016-01-04
err54
PREAI
errHocine, Sarah; Hartkamp, Remco; Siboulet, Bertrand; Duvail, Magali; Coasne, Benoit; Turq, Pierre; Dufreche, Jean-Francois
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Multi-scale modelling of uranyl chloride solutions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-01-09
err19
PREAI
errThanh-Nghi Nguyen; Duvail, Magali; Villard, Arnaud; Molina, John Jairo; Guilbaud, Philippe; Dufreche, Jean-Francois
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Predicting for thermodynamic instabilities in water/oil/surfactant microemulsions: A mesoscopic modelling approach
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-04-30
err22
PREAI
errDuvail, Magali; Arleth, Lise; Zemb, Thomas; Dufreche, Jean-Francois
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Polarizable interaction potential for molecular dynamics simulations of actinoids(III) in liquid water
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2011-07-25
err32
PREAI
errDuvail, Magali; Martelli, Fausto; Vitorge, Pierre; Spezia, Riccardo
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Complexation of Lanthanides(III), Americium(III), and Uranium(VI) with Bitopic N,O Ligands: an Experimental and Theoretical Study
errINORGANIC CHEMISTRY
IF4.7
err2011-06-10
err53
PREAI
errMarie, Cecile; Miguirditchian, Manuel; Guillaumont, Dominique; Tosseng, Arnaud; Berthon, Claude; Guilbaud, Philippe; Duvail, Magali; Bisson, Julia; Guillaneux, Denis; Pipelier, Muriel; Dubreuil, Didier
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Revised Ionic Radii of Lanthanoid(III) Ions in Aqueous Solution
errINORGANIC CHEMISTRY
IF4.7
err2011-04-15
err249
PREAI
errD'Angelo, Paola; Zitolo, Andrea; Migliorati, Valentina; Chillemi, Giovanni; Duvail, Magali; Vitorge, Pierre; Abadie, Sacha; Spezia, Riccardo
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Coarse-grained lanthanoid chloride aqueous solutions
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2010-05-01
err6
PREAI
errMolina, John Jairo; Duvail, Magali; Guilbaud, Philippe; Dufreche, Jean-Francois
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Molecular Dynamics Studies of Concentrated Binary Aqueous Solutions of Lanthanide Salts: Structures and Exchange Dynamics
errINORGANIC CHEMISTRY
IF4.7
err2009-12-21
err76
errOAAI
errDuvail, Magali; Ruas, Alexandre; Venault, Laurent; Moisy, Philippe; Guilbaud, Philippe
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Building a polarizable pair interaction potential for lanthanoids(III) in liquid water: A molecular dynamics study of structure and dynamics of the whole series
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-03-09
err104
PREAI
errDuvail, Magali; Vitorge, Pierre; Spezia, Riccardo
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Research Directions

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Co-authors
Cooperation Journals
B
Benoît Coasne
H-index: 56 · Papers: 332
P
P. D’Angelo
H-index: 54 · Papers: 396
O
Olivier Diat
H-index: 53 · Papers: 243
C
Christoph Hennig
H-index: 52 · Papers: 299
R
Rodolphe Vuilleumier
H-index: 49 · Papers: 262
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