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Interoperable Workflows by Exchanging Grid-Based Data between Quantum-Chemical Program Packages
31-01-2024Pré-publication ou Document de travailtexte intégral -
Solvation effects on halides core spectra with Multilevel Real-Time quantum embedding
25-01-2024Pré-publication ou Document de travailtexte intégral -
The hydration of polycyclic aromatic compounds: the case of naphthaldehyde
Journées plénières 2022 du GDR EMIE, Dunkerque, 14-06-2022, 14-06-2022 -
Microsolvation of naphthaldehyde, an aerosol precursor, studied by microwave spectroscopy
Comité Scientifique CaPPA 2021, Villeneuve d'Ascq, 09-11-2021, 09-11-2021Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Temporal cavities as temporal mode filters for frequency combs
15-03-2023Pré-publication ou Document de travailtexte intégral -
Complexation of curium(III) and europium(III) with aqueous phosphates: a combined experimental, thermodynamic, and ab initio study
R3C 2024, 3ème Rencontres Rayonnement Radiochimie, Nîmes (France), 18-06-2024, 18-06-2024Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Accurate Predictions of Volatile Plutonium Thermodynamic Properties
INORGANIC CHEMISTRY, American Chemical Society, 14-10-2019, 58, 14507-14521Compte-rendu et recension critique d'ouvragetexte intégral -
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 -
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 -
Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations
Journal of Chemical Physics, American Institute of Physics, 09-06-2022, 156, 224108Compte-rendu et recension critique d'ouvragetexte intégral