Magali Duvail

École Nationale Supérieure de Chimie de Montpellier — France

Physics and Astronomy · Physical Sciences

23h-index1.8kcitations106works1.12yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(35), Chemical and Physical Properties in Aqueous Solutions(26), Radioactive element chemistry and processing(21), Electrostatics and Colloid Interactions(18), Extraction and Separation Processes(14)

Publications106 total

Insights from molecular dynamics: What drives the Eu(NO3)3 aggregate formation in solvent extraction?
Journal of Molecular Liquids·2025· 1 citedOpen Access
Structure and chemistry of uranium dioxide (UO <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si83.svg" display="inline" id="d1e1043"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mtext>2</mml:mtext> </mml:mrow> </mml:msub> </mml:math> ) in water from first-principles molecular dynamics simulations
Colloids and Surfaces A Physicochemical and Engineering Aspects·2025Open Access
Understanding the Aggregation of Lanthanum(III) Nitrate Clusters in Pure Methanol: A Molecular Dynamics Investigation
The Journal of Physical Chemistry B·2025
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
Hydrometallurgy·2024Open Access
How to predict the thermodynamics of rare-earth reverse micelle involved in separation chemistry
SPIRE - Sciences Po Institutional REpository·2024
Prédiction moléculaire des enthalpies libres de transfert pour l’extraction liquide-liquide
SPIRE - Sciences Po Institutional REpository·2024
Modeling of liquid-liquid extraction of salts between an aqueous phase and a microemulsion
SPIRE - Sciences Po Institutional REpository·2024
Molecular prediction of water transfer in water-octanol interfaces for liquid-liquid extraction
SPIRE - Sciences Po Institutional REpository·2024
Understanding interface formation and extractant distribution at the liquid-liquid interface
SPIRE - Sciences Po Institutional REpository·2024
Prédiction moléculaire des enthalpies libres de transfert des ions pour l’extraction liquide-liquide
SPIRE - Sciences Po Institutional REpository·2024
Simulation de l’équilibre et du transport des ions aux interfaces liquide-liquide
SPIRE - Sciences Po Institutional REpository·2024
Modeling Lanthanide Ions in Solution: A Versatile Force Field in Aqueous and Organic Solvents
Journal of Chemical Theory and Computation·2024· 12 cited
Chemical models for dense solutions
Faraday Discussions·2024· 3 citedOpen Access
Lipophilic Edta-Based Ligands for the Extraction of Rare Earths
SSRN Electronic Journal·2024Open Access
Water-octanol and air-octanol interfaces
SPIRE - Sciences Po Institutional REpository·2023
Simulation of the equilibrium and the transport of ions at the liquid-liquid interface
SPIRE - Sciences Po Institutional REpository·2023
Exploring the Aggregation Behavior of Extractant Molecules in Ionic Liquids: A Coupled Polarizable Molecular Dynamics and SAXS Study
The Journal of Physical Chemistry B·2023· 3 cited
Simulation at the service of liquid solid interfaces: insight from molecular dynamics
SPIRE - Sciences Po Institutional REpository·2022Open Access
Contribution of Molecular Dynamics in pNMR for the Structural Determination of An<sup>V</sup> and An<sup>VI</sup> Complexes in Solution
Inorganic Chemistry·2022· 3 citedOpen Access
Nanometric organization of a liquid-liquid interface containing a malonamide extractant: experiments and molecular dynamics simulations
SPIRE - Sciences Po Institutional REpository·2022
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Frequent Co-authors

Jean‐François Dufrêche(26), Philippe Guilbaud(17), Pierre Vitorge(10), Riccardo Spezia(10), Thomas Zemb(8), Bertrand Siboulet(5), P. D’Angelo(4), Olivier Diat(4), Sandrine Dourdain(4), Stéphane Pellet‐Rostaing(4), Michael Bley(4), Thierry Cartailler(3), Lise Arleth(3), Thomas Dumas(3), John J. Molina(3), Giovanni Chillemi(2), Claude Berthon(2), Marie‐Pierre Gaigeot(2), Benjamin Rotenberg(2), Arnaud Villard(2)