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Résultats 41-50 de 70
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Incorporating many-body and environment effects on luminescence and core spectroscopies
GDR NBODY GENERAL MEETING 2022, Toulouse, 10-01-2022, 10-01-2022 -
Quantum chemical investigation of intramolecular hydrogen bonds in oxygenated aromatic molecules: influence of ring size, donor/acceptor groups and substituants
Journées plénières 2022 du GDR EMIE, Dunkerque, 14-06-2022, 14-06-2022 -
Assessing MP2 frozen natural orbitals for relativistic electronic structure
Workshop of the GDR quantum gases, Lille, 24-10-2022, 24-10-2022Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Complexation of neptunium(V) with aqueous phosphate using a dual experimental and quantum chemical approach
Migration 2023, Nantes, 24-09-2023, 24-09-2023Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Development of Theoretical Tools for Modeling Core and Valence Spectroscopies and their Applications to Species of Atmospheric Interest
JTMS 2020 : Journées "Théorie, Modélisation et Simulation", Visioconférence, 02-11-2020, 02-11-2020Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Coordination and thermodynamic properties of aqueous protactinium(V) by computational chemistry techniques
Migration 2023, Nantes, 24-09-2023, 24-09-2023 -
Effect of inorganic ligands on Pa<sup>5+</sup> and PaO<sup>3+</sup> relative stabilities: A computational study
11th international conference on f elements, Strasbourg, 22-08-2023, 22-08-2023 -
Elucidating the gas phase adsorption of CH<sub>3</sub>I on sea-salt aerosol using computational chemistry
Canadian Chemistry Conference and Exhibition (CSC 2023), Vancouver, 04-06-2023 -
X-ray Absorption Spectra and Photoionization of Actinide Compounds with Relativistic Electronic Structure Approaches
ATAS-AnXAS, Grenoble, 17-10-2022, 31-08-2022Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Determining core electron binding energies with four-component based EOM-CCSD approaches
Torun's Astrochemistry, theoretical Spectroscopy and Quantum chemistry group Minisymposium, Torún, 30-10-2020, 30-10-2020