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The DIRAC code for relativistic molecular calculations
Journal of Chemical Physics, American Institute of Physics, 26-05-2020, 152, 204104Compte-rendu et recension critique d'ouvragetexte intégral -
A combined experimental and theoretical study of the lowest-lying valence, Rydberg and ionic electronic states of 2,4,6-trichloroanisole
Journal of Quantitative Spectroscopy and Radiative Transfer, Elsevier, 20-05-2021, 271, 107751Compte-rendu et recension critique d'ouvragetexte intégral -
Theoretical study of infrared spectra of iodide molecules on NaCl surfaces
Réunion annuelle du GDR ThéMS, Visioconférence, 15-12-2020, 15-12-2020 -
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 -
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 -
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 -
Theoretical studies of photodesorption of molecular interstellar ices
Journées plénières 2022 du GDR EMIE, Dunkerque, 14-06-2022, 14-06-2022Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Final-state-resolved mutual neutralization in I<sup>+</sup> - I<sup>−</sup> collisions
Physical Review A, American Physical Society, 18-07-2022, 106; 1, 012812Article dans une revue scientifiquetexte intégral -
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 -
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