Recherche
Résultats 11-20 de 98
-
Macroscopic modeling: insights in the ability of classical non-additive potentials to model radionucleides in aqueous solution
Symposium of the 14th ICQC conference: Chemistry and Physics of the Heavy Elements, Santa Fe, 25-06-2012, 25-06-2012 -
How to probe the electronic structure of heavy element complexes?
International Meeting on Atomic and Molecular Physics and Chemistry 2011, Rennes, 01-07-2011, 01-07-2011 -
Relativistic correlated calculations of the thermodynamic properties of gaseous plutonium oxides
ISTCP IX 2016 Conference, Grand Forks, 17-07-2016, 17-07-2016Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Probing the Nature of Chemical Bonding in Actinide Complexes with Quantum Chemical Methods
ESCB1, First European Symposium on Chemical Bonding, Rouen, 29-08-2016, 08-08-2016 -
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 -
Relativistic correlated calculations of the thermodynamics properties of gaseous plutonium oxides
Quatrième réunion annuelle du GDR ThéMS, Lille, 14-12-2016, 14-12-2016 -
Probing the properties of gaseous radioelements oxides through modeling: The Plutonium Case
International Conference on Aerosol Cycle – Sources, Aging, Sinks, Impacts, Lille, 21-03-2017, 21-03-2017Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Quantum chemical prediction of standard formation enthalpies of uranyl nitrates and its degradation products
The 47èmes Journées des Actinides, Karpacz, 26-03-2017, 26-03-2017 -
Modeling the Spectra of Heavy Elements in Condensed Phase Using WFT-in-DFT and DFT-in-DFT Embedding
7th Molecular Quantum Mechanics, Lugano, 02-06-2013, 02-06-2013Autre communication scientifique (congrès sans actes - poster - séminaire...) -
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