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Macroscopic modeling: insights in the ability of classical non-additive potentials to model radionucleides in aqueous solution
14th ICQC (International Conference of Quantum Chemistry), Boulder, 25-06-2012, 25-06-2012Autre communication scientifique (congrès sans actes - poster - séminaire...) -
How to build accurate macroscopic modesls of actinide ions in aqueous solutions?
Joint International Conference on Supercomputing in Nuclear Applications + Monte Carlo, Paris, 27-10-2013, 30-10-2013 -
Revisiting a many-body model for water based on a single polarizable site: From gas phase clusters to liquid and air/liquid water systems
Journal of Chemical Physics, American Institute of Physics, 18-09-2013, 139, 114502Compte-rendu et recension critique d'ouvrage -
Quantum and classical approaches to probe the structural, dynamical and hydration properties of tetravalent actinide elements
255th ACS National Meeting, New Orleans, 18-03-2018, 18-03-2018 -
Benchmark binding energies of ammonium and alkyl-ammonium ions interacting with water. Are ammonium–water hydrogen bonds strong?
CHEMICAL PHYSICS LETTERS, Elsevier, 02-01-2015, 618, 168-173Compte-rendu et recension critique d'ouvrage -
Development and application of a polarizable force-field for halides counter anions and lanthanides cations in aqueous solution
International Meeting on Atomic and Molecular Physics and Chemistry, Lille, 02-07-2013, 02-07-2013Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Revealing the Hydration of Thorium(IV) With Combined Techniques Involving EXAFS, HEXS and Molecular Dynamics Simulations
249th ACS National Meeting, Denver, 13-03-2015, 13-10-2015 -
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 -
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