Publications by authors named "Pierre Turq"

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Aqueous solutions of tetraalkylammonium halides: ion hydration, dynamics and ion-ion interactions in light of steric effects.
Debsindhu Bhowmik, Natalie Malikova, Guillaume Mériguet, Olivier Bernard, José Teixeira, Pierre Turq

Phys Chem Chem Phys· July 2014

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Diffusion coefficient and shear viscosity of rigid water models.
Sami Tazi, Alexandru Boţan, Mathieu Salanne, Virginie Marry, Pierre Turq

J Phys Condens Matter· July 2012

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A transferable ab initio based force field for aqueous ions.
Sami Tazi, John J Molina, Benjamin Rotenberg, Pierre Turq, Rodolphe Vuilleumier

J Chem Phys· March 2012

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Primitive models of ions in solution from molecular descriptions: a perturbation approach.
John J Molina, Jean-François Dufrêche, Mathieu Salanne, Olivier Bernard, Pierre Turq

J Chem Phys· December 2011

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Hydrophobic transition in porous amorphous silica.
Bertrand Siboulet, Benoît Coasne, Jean-François Dufrêche, Pierre Turq

J Phys Chem B· June 2011

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Ions in solutions: Determining their polarizabilities from first-principles.
John J Molina, Sébastien Lectez, Sami Tazi, Mathieu Salanne, Jean-François Dufrêche, Pierre Turq

J Chem Phys· January 2011

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Potential-induced ordering transition of the adsorbed layer at the ionic liquid/electrified metal interface.
Sami Tazi, Mathieu Salanne, Christian Simon, Pierre Turq, Michael Pounds

J Phys Chem B· July 2010

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Bridging molecular and continuous descriptions: the case of dynamics in clays.
Jean-François Dufrêche, Benjamin Rotenberg, Virginie Marry, Pierre Turq

An Acad Bras Cienc· March 2010

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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, Pierre Turq

Phys Rev E Stat Nonlin Soft Matter Phys· December 2009

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Electrical conductivity of mixed electrolytes: Modeling within the mean spherical approximation.
Gaëlle M Roger, Serge Durand-Vidal, Olivier Bernard, Pierre Turq

J Phys Chem B· June 2009

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Salt exclusion in charged porous media: a coarse-graining strategy in the case of montmorillonite clays.
Marie Jardat, Jean-François Dufrêche, Virginie Marry, Benjamin Rotenberg, Pierre Turq

Phys Chem Chem Phys· March 2009

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Structure and dynamics of water at a clay surface from molecular dynamics simulation.
Virginie Marry, Benjamin Rotenberg, Pierre Turq

Phys Chem Chem Phys· August 2008

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Calculation of activities of ions in molten salts with potential application to the pyroprocessing of nuclear waste.
Mathieu Salanne, Christian Simon, Pierre Turq, Paul A Madden

J Phys Chem B· January 2008

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Toward the description of electrostatic interactions between globular proteins: potential of mean force in the primitive model.
Vincent Dahirel, Marie Jardat, Jean-François Dufrêche, Pierre Turq

J Chem Phys· September 2007

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A multiscale approach to ion diffusion in clays: building a two-state diffusion-reaction scheme from microscopic dynamics.
Benjamin Rotenberg, Virginie Marry, Jean-François Dufrêche, Eric Giffaut, Pierre Turq

J Colloid Interface Sci· May 2007

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Conductivity-viscosity-structure: unpicking the relationship in an ionic liquid.
Mathieu Salanne, Christian Simon, Pierre Turq, Paul A Madden

J Phys Chem B· May 2007

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New coarse-graining procedure for the dynamics of charged spherical nanoparticles in solution.
Vincent Dahirel, Marie Jardat, Jean-François Dufrêche, Pierre Turq

J Chem Phys· March 2007

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Experimental and molecular dynamics studies of dysprosium(III) salt solutions for a better representation of the microscopic features used within the binding mean spherical approximation theory.
Alexandre Ruas, Philippe Guilbaud, Christophe Den Auwer, Christophe Moulin, Jean-Pierre Simonin, Pierre Turq

J Phys Chem A· October 2006

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A first-principles description of liquid BeF2 and its mixtures with LiF: 1. Potential development and pure BeF2.
Robert J Heaton, Richard Brookes, Paul A Madden, Mathieu Salanne, Christian Simon, Pierre Turq

J Phys Chem B· June 2006

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A first-principles description of liquid BeF2 and its mixtures with LiF: 2. Network formation in LiF-BeF2.
Mathieu Salanne, Christian Simon, Pierre Turq, Robert J Heaton, Paul A Madden

J Phys Chem B· June 2006

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Uranyl(VI) nitrate salts: modeling thermodynamic properties using the binding mean spherical approximation theory and determination of "fictive" binary data.
Alexandre Ruas, Olivier Bernard, Barbara Caniffi, Jean-Pierre Simonin, Pierre Turq

J Phys Chem B· February 2006

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Experimental determination of water activity for binary aqueous cerium(III) ionic solutions: application to an assessment of the predictive capability of the binding mean spherical approximation model.
Alexandre Ruas, Jean-Pierre Simonin, Pierre Turq, Philippe Moisy

J Phys Chem B· December 2005

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Lanthanide salts solutions: representation of osmotic coefficients within the binding mean spherical approximation.
Alexandre Ruas, Philippe Moisy, Jean-Pierre Simonin, Olivier Bernard, Jean-François Dufrêche, Pierre Turq

J Phys Chem B· March 2005

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