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Combining DMRG with standard relativistic multireference methods to probe the properties of strongly correlated systems: Plutonium oxides
JTMS17 "Journées Théorie, Modélisation et Simulation 2017", Paris, 01-06-2017, 01-06-2017 -
Challenges in relativistic electronic structure calculations of gas-phase reactivity and thermodynamics of actinide species
Plutonium Futures: The Science 2022, Avignon, 26-09-2022, 26-09-2022 -
Combining DMRG with standard relativistic multireference methods to probe the properties of plutonium oxide molecules
AVS 64th International Symposium, Tampa, Florida, 31-10-2017, 31-10-2017 -
Investigation of thermodynamics properties of gaseous plutonium oxides through a deep dive into electronic structure
10th International Conference on f-Elements (ICFE-10), Lausanne, 03-09-2018, 03-09-2018 -
Evaluation of thermal scattering law for light water based on new time-of-flight measurements at the Institute Laue-Langevin (ILL)
PHYTRA4 - The Fourth International Conference on Physics and Technology of Reactors and Applications, Marrakech, 17-09-2018, PHYTRA4 - The Fourth International Conference on Physics and Technology of Reactors and Applications, 17-09-2018Communication dans un congrès avec actes -
ONIOM QM/MM investigation of the iodide oxidation by ozone on particle
A Molecular Level Understanding of Atmospheric Aerosols (MUOAA 2022), Los Angeles, 15-05-2022, 15-05-2022 -
Exploring the dynamic and thermodynamic properties of halides through molecular dynamics simulations
Journée de la solvatation, Lille, 08-10-2018, 08-10-2018 -
Complexation of Cm(III) with aqueous phosphates at elevated temperatures: a luminescence, thermodynamic, and ab initio study
Plutonium Futures: The Science 2022, Avignon, 26-09-2022, 26-09-2022 -
Structure–Property Relationships in Photoluminescent Bismuth Halide Organic Hybrid Materials
INORGANIC CHEMISTRY, American Chemical Society, 05-07-2021, 60; 13, 9727--9744Compte-rendu et recension critique d'ouvragetexte intégral -
Complexation of Cm(III) with aqueous phosphates at elevated temperatures
Goldschmidt 2021, Lyon, 04-07-2021, 04-07-2021Autre communication scientifique (congrès sans actes - poster - séminaire...)