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Modelling of ruthenium chemistry in case of severe accidents occurring to a nuclear power plant
RCTF2014 14ème Rencontre des Chimistes Théoriciens Francophones, Paris, 30-06-2014, 30-06-2014Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Can Quantum Chemical Methods be Used to Predict Gibbs Energies for Reactions in Solution? A Case Study Using Binary and Ternary Lanthanide(III) and Actinide(III) - Tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione] (TTA) - Tributyl/Trimethyl phosphate (TBP/TMP) Complexes.
SOLVENT EXTRACTION AND ION EXCHANGE, Taylor & Francis, 24-07-2013, 31, 358-369Compte-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 -
Structure and Bonding in Uranyl(VI) Peroxide and Crown Ether Complexes; Comparison of Quantum Chemical and Experimental Data
INORGANIC CHEMISTRY, American Chemical Society, 01-12-2017, 56, 15231-15240Compte-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 -
Probing the unusual π-arene coordination of An-alkyl complexes (An = U, Th)
REHE-2017, 12th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics, Marburg, 02-09-2017, 02-09-2017Autre communication scientifique (congrès sans actes - poster - séminaire...) -
A consistent molecular model to predict the behavior of early tetravalent actinides
WATOC 2017 - 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry, Munich, 27-08-2017, 27-08-2017Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Modélisation réaliste de la spectroscopie électronique du Pa(IV) en solution aqueuse
25ème Congrès Général de la Société Française de Physique, Nantes, 08-07-2019, 08-07-2019 -
Improving the description of solvent pairwise interactions using local solute/solvent three-body functions. The case of halides and cabroxylates in aqueous environment
Journal of Computational Chemistry, Wiley, 31-01-2019, 49, 1209-1218Compte-rendu et recension critique d'ouvrage