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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 -
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 -
Theoretical study of infrared spectra of iodide molecules on NaCl surfaces
Réunion annuelle du GDR ThéMS, Visioconférence, 15-12-2020, 15-12-2020 -
Investigation of the adsorption of CH<sub>3</sub>I on NaCl and ice surfaces
RCP21-Rencontres de Chimie-Physique 2021-SCF21, Sète, 20-09-2021, 20-09-2021 -
QM/MM determination of adsorption energies of small molecules on interstellar ice surfaces
The ModSim Conference Series, Online, 27-05-2021, 27-05-2021 -
Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations
Webinar...a way to REHE2022, Online, 25-11-2021, 25-11-2021 -
The hydration of polycyclic aromatic compounds: the case of naphthaldehyde
26th International Conference on High-Resolution Molecular Spectroscopy (HRMS Praha 2022), Praha, 29-08-2022, 29-08-2022 -
The hydration of polycyclic aromatic compounds: the case of α-naphthaldehyde
27th Colloquium on High-Resolution Molecular Spectroscopy (HRMS Cologne 2021), Cologne, 29-08-2021, 29-08-2021 -
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