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Strontium selectivity in sodium nonatitanate Na4Ti9O20·xH2O
Arnaud Villard
,
Bertrand Siboulet
,
Guillaume Toquer
,
Aurélie Merceille
,
Agnès Grandjean
,
et al.
Journal articles
hal-02000305v1
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Primitive models of ions in solution from molecular descriptions: A perturbation approach
John Molina
,
Jean-François Dufrêche
,
Mathieu Salanne
,
Olivier Bernard
,
Pierre Turq
Journal articles
hal-02002570v1
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New Insights into the Recovery of Strategic and Critical Metals by Solvent Extraction
Jason Love
,
Manuel Miguirditchian
,
A. Chagnes
Bruce A Moyer. Ion Exchange and Solvent Extraction, 23, CRC Press, pp.1-44, 2019, Changing the Landscape in Solvent Extraction, 9781315114378
Book sections
hal-02265140v1
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One-Dimensional Molecular Crystal of Phthalocyanine Confined into Single-Walled Carbon Nanotubes
Laurent Alvarez
,
Fallou Fall
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Anouar Belhboub
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Rozenn Le Parc
,
Yann Almadori
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et al.
Journal articles
hal-01123545v1
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Determination of the Solubility of Rhabdophanes LnPO4·0.667 H2O (Ln = La to Dy)
Clémence Gausse
,
Stephanie Szenknect
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Danwen Qin
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Adel Mesbah
,
Nicolas Clavier
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et al.
Journal articles
istex
hal-02010069v1
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Kinetics of hydrogen permeation through a Ni-base alloy membrane exposed to primary medium of pressurized water reactors
Loic Marchetti
,
Frantz Martin
,
Frédéric Datcharry
,
Jacques Chêne
Journal articles
hal-02110433v1
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Models of electrolyte solutions from molecular descriptions: The example of NaCl solutions
John Jairo Molina
,
Jean-François Dufrêche
,
Mathieu Salanne
,
Olivier Bernard
,
Marie Jardat
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et al.
Journal articles
hal-02002625v1
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Temperature dependence of $^1H$ paramagnetic chemical shifts in actinide complexes, beyond Bleaney's theory: The An$^{VI}$O$_2^{2+}$ – Dipicolinic AcidcComplexes (An=Np, Pu) as an Example
Matthieu Autillo
,
Md. Ashraful Islam
,
Julie Héron
,
Laetitia Guérin
,
Eléonor Acher
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et al.
Journal articles
hal-03215097v1
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Simulating osmotic equilibria: A new tool for calculating activity coefficients in concentrated aqueous salt solutions
Michael Bley
,
Magali Duvail
,
Philippe Guilbaud
,
Jean-François Dufrêche
Journal articles
hal-01999620v1
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Combined supramolecular and mesoscale modelling of liquid–liquid extraction of rare earth salts
Anwesa Karmakar
,
Magali Duvail
,
Michael Bley
,
Thomas Zemb
,
Jean-François Dufrêche
Journal articles
hal-01998379v1
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Multicomponent Model for the Prediction of Nuclear Waste/Rare-Earth Extraction Processes
Mario Špadina
,
Klemen Bohinc
,
Thomas Zemb
,
Jean-François Dufrêche
Journal articles
hal-01998185v1
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Investigation of the role of alkali cation in early stage of oligomerization in silicate fluids: a molecular dynamics study
Amaury Coste
,
Olivier Diat
,
Arnaud Poulesquen
,
Jean-François Dufrêche
,
Magali Duvail
7th EuCheMS Chemistry Congress, Aug 2018, Liverpool, United Kingdom
Conference poster
hal-02142629v1
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Thermodynamic approach of uranium(VI) extraction by N,N-(2-ethylhexyl)isobutyramide
M. Coquil
,
Nathalie Boubals
,
M. Duvail
,
Jean-François Dufrêche
,
Mc. Charbonnel
Summer School CCP5, Jul 2018, Lancaster, United Kingdom
Conference papers
cea-02338617v1
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Study of aggregation phenomena in the organic phase for separation chemistry
M. Bley
,
M. Duvail
,
P. Guilbaud
,
Jean-François Dufrêche
16emes Journees Scientifiques de Marcoule (JSM - 2016), Jun 2016, Bagnols-Sur-Ceze, France
Conference papers
hal-02441923v1
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Specificity of ionic adsorption in silicas studied with molecular dynamics and potential of mean force
S. Hocine
,
Bertrand Siboulet
,
M. Duvail
,
Benoit Coasne
,
P. Turq
,
et al.
LowPerm 2015 - Low permeability media and nanoporous materials from characterisation to modelling, Jun 2015, Rueil Malmaison, France
Conference papers
cea-02491621v1
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Analysis of the second harmonic generation signal from a liquid/air and liquid/liquid interface
Thanh Tung Pham
,
Alban Jonchere
,
Jean-François Dufrêche
,
Pierre-Francois Brevet
,
Olivier Diat
Journal articles
hal-02000024v1
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Liquid/liquid interface in periodic boundary condition
Marin Vatin
,
Magali Duvail
,
Philippe Guilbaud
,
Jean-François Dufrêche
Journal articles
hal-03120483v1
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Surface activity and molecular organization of metallacarboranes at the air/water interface revealed by nonlinear optics
Pierre-Marie Gassin
,
Luc Girard
,
Gaelle Martin-Gassin
,
Damien Brusselle
,
Olivier Diat
,
et al.
Journal articles
hal-01112491v1
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Synthesis, Crystal Structure, Theoretical, and Resistivity Study of BaUSe 3
Jai Prakash
,
Maria Tarasenko
,
Adel Mesbah
,
Sébastien Lebègue
,
Christos Malliakas
,
et al.
Journal articles
hal-02045476v1
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Thermodynamic description of synergy in solvent extraction: I. Enthalpy of mixing at the origin of synergistic aggregation
J. Rey
,
Sandrine Dourdain
,
Jean-François Dufrêche
,
Laurence Berthon
,
J. Muller
,
et al.
Journal articles
hal-02000053v1
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Density and activity of pertechnetic acid aqueous solutions at T = 298.15 K
P. Moeyaert
,
L. Abiad
,
C. Sorel
,
Jean-François Dufrêche
,
A. Ruas
,
et al.
Journal articles
hal-02000113v1
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Thermodynamics of associated electrolytes in water: Molecular dynamics simulations of sulfate solutions
Magali Duvail
,
Arnaud Villard
,
Thanh-Nghi Nguyen
,
Jean-François Dufrêche
Journal articles
hal-02000133v1
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Nano-ions in interaction with non-ionic surfactant self-assemblies
Max Hohenschutz
Theses
tel-03173636v1
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Mechanism of trivalent actinide/lanthanide separation using bis (2,4,4-trimethylpentyl) dithiophosphinic acid (cyanex 301) and neutral O-bearing Co-extractant synergistic mixtures
G. Ionova
,
S. Ionov
,
C. Rabbe
,
C. Hill
,
C. Madic
,
et al.
Journal articles
cea-03239154v1
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IR Fingerprints of U(VI) Nitrate Monoamides Complexes: A Joint Experimental and Theoretical Study
Antonio Prestianni
,
Laurent Joubert
,
Alexandre Chagnes
,
Gerard Cote
,
Marie-Noelle Ohnet
,
et al.
Journal articles
cea-03095730v1
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Multi-scale modelling of uranyl chloride solutions
Thanh-Nghi Nguyen
,
Magali Duvail
,
Arnaud Villard
,
John Jairo Molina
,
Philippe Guilbaud
,
et al.
Journal articles
hal-02000182v1
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Deformation of a liquid near an AFM tip: molecular dynamics approach
Lolita Hilaire
,
Bertrand Siboulet
,
Sophie Charton
,
René Ledesma-Alonso
,
Dominique Legendre
,
et al.
Journal articles
hal-02924910v1
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Modélisation Multi-Echelle pour les Phénomènes de Transfert en Chimie Séparative : de l'Atome aux Procédés
Magali Duvail
Chimie théorique et/ou physique. Université de Montpellier, 2017
Habilitation à diriger des recherches
tel-03326911v1
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Atomic charges for molecular dynamics calculations
J.-P Dognon
,
S Durand
,
G Granucci
,
B Lévy
,
P Millié
,
et al.
Journal articles
istex
cea-03239111v1
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Understanding the nitrate coordination to Eu3+ ions in solution by potential of mean force calculations
Magali Duvail
,
Philippe Guilbaud
Journal articles
cea-03326157v1
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