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Résultats 1-8 de 8
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Sodium/halides aqueous droplets in vacuo at the sub micron scale : size, temperature and concentration effects on their structural properties from simulations at the microscopic level.
EGU General Assembly 2022, Vienne (AUT), 23-05-2022, 25-03-2022 -
Structural, dynamical, and transport properties of the hydrated halides: How do At<sup>-</sup> bulk properties compare with those of the other halides, from F<sup>-</sup> to I<sup>-</sup>?
Journal of Chemical Physics, American Institute of Physics, 28-03-2016, 144, 124513Compte-rendu et recension critique d'ouvrage -
Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions
Journal of Computational Chemistry, Wiley, 05-04-2013, 34, 707-719Compte-rendu et recension critique d'ouvragetexte intégral -
Organic ion association in aqueous phase and ab initio -based force fields: The case of carboxylate/ammonium salts
Journal of Chemical Physics, American Institute of Physics, 18-08-2017, 147, 161720Compte-rendu et recension critique d'ouvrage -
Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: the case of the halide ions F<sup>-</sup>, Cl<sup>-</sup>, and Br<sup>-</sup>.
Journal of Chemical Physics, American Institute of Physics, 24-01-2012, 136, 044509Compte-rendu et recension critique d'ouvrage -
Quantum Chemical and Molecular Dynamics Study of the Coordination of Th(IV) in Aqueous Solvent
Journal of Physical Chemistry B, American Chemical Society, 11-11-2010, 114, 15913Compte-rendu et recension critique d'ouvrage -
Combined experimental and theoretical investigations of the heavy highlight electromobility. (I- and At-)
Les XIIIèmes Journées Nationales de Radiochimie, Nantes, 04-10-2012, 04-10-2012Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution
Journal of Chemical Physics, American Institute of Physics, 07-11-2019, 151; 17, 174504Compte-rendu et recension critique d'ouvragetexte intégral