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Résultats 11-20 de 41
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Influence of Alkaline Earth Metal Ions on Structures and Luminescent Properties of Na<sub>m</sub>M<sub>n</sub>UO<sub>2</sub>(CO<sub>3</sub>)<sub>3</sub> <sup>(4-m-2n)-</sup> (M = Mg, Ca; m , n = 0–2): Time-Resolved Fluorescence Spectroscopy and Ab Initio Studies
INORGANIC CHEMISTRY, American Chemical Society, 01-10-2020, 59, 15036-15049Compte-rendu et recension critique d'ouvragetexte intégral -
Carbon-Sulfur Bond Strength in Methanesulfinate and Benzenesulfinate Ligands Directs Decomposition of Np(V) and Pu(V) Coordination Complexes
Dalton Transactions, Royal Society of Chemistry, 2020, 49; 10, 3293-3303Compte-rendu et recension critique d'ouvragetexte intégral -
Fully relativistic computation on the electronic structure of I<sub>2</sub> and I<sub>2</sub><sup>+</sup>
JTMS 2020 : Journées "Théorie, Modélisation et Simulation", Visioconférence, 02-11-2020, 02-11-2020Autre communication scientifique (congrès sans actes - poster - séminaire...) -
The DIRAC code for relativistic molecular calculations
Journal of Chemical Physics, American Institute of Physics, 26-05-2020, 152, 204104Article dans une revue scientifiquetexte intégral -
Relativistic equation of motion coupled cluster theory
Première réunion générale du GDR NBODY : Problème Quantique à N Corps en Chimie et Physique, Lille, 08-01-2020, 08-01-2020 -
A combined ab initio and time-resolved laser-induced fluorescence study of uranium-ligand interactions
JTMS 2020 : Journées "Théorie, Modélisation et Simulation", Visioconférence, 02-11-2020, 02-11-2020 -
Topological Swing of Bloch Oscillations in Quantum Walks
Physical Review Letters, American Physical Society, 23-07-2020, 125; 18Compte-rendu et recension critique d'ouvragetexte intégral -
Environmental effects with Frozen Density Embedding in Real-Time Time-Dependent Density Functional Theory using localized basis functions
Journal of Chemical Theory and Computation, American Chemical Society, 08-09-2020, 16; 9, 5695-5711Compte-rendu et recension critique d'ouvragetexte intégral -
Challenges in relativistic electronic structure calculations of gas-phase reactivity and thermodynamics of actinide species
International Workshop on Theory Frontiers in Actinide Sciences: Chemistry and Materials, Santa Fe, 02-02-2020, 02-02-2020 -
Exploring excited state potential energy profile and luminescence properties of uranyl-based complexes by TRLFS and ab initio methods
International Workshop on Theory Frontiers in Actinide Sciences: Chemistry and Materials, Santa Fe, 02-02-2020, 02-02-2020