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Exploring excited state potential energy profile and luminescence properties of uranyl-based complexes by TRLFS and ab initio method
29th Rare Earth Research Conference (RERC29), Philadelphia, 26-06-2022, 26-06-2022 -
Frozen-Density Embedding for including environmental effects in the Dirac-Kohn-Sham theory: an implementation based on density fitting and prototyping techniques
Journal of Chemical Theory and Computation, American Chemical Society, 11-10-2022, 18; 10, 5992–6009Compte-rendu et recension critique d'ouvragetexte intégral -
Exploring the dynamic and thermodynamic properties of halides through molecular dynamics simulations
Journée de la solvatation, Lille, 08-10-2018, 08-10-2018 -
Theoretical modelling of optical and thermodynamical properties of actinide (U, Np, Pu,...) complexes
46th Conference of the European Group on Atomic Systems, Lille, 01-07-2014, 01-07-2014Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Environment effects on X-ray absorption spectra with quantum embedded real-time Time-dependent density functional theory approaches
Frontiers in Chemistry, Frontiers Media, 28-02-2022Compte-rendu et recension critique d'ouvragetexte intégral -
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...) -
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...) -
Relativistic correlated electronic structure and the calculation of accurate ground-state, core and valence properties of heavy element species
ATAS-AnXAS, Grenoble, 17-10-2022, 31-08-2022 -
How does bending the uranyl unit influence its spectroscopy and luminescence
Inorganic Chemistry, American Chemical Society, 06-06-2023, 62, 9273−9284Compte-rendu et recension critique d'ouvragetexte intégral