Recherche
Résultats 1-10 de 133
-
Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations
Pré-publication ou Document de travailtexte intégral -
Theoretical core spectroscopy of molecules interacting with ice surfaces
SolvATE2020: Scientific Meeting of the GdR SolvATE, Online, 25-11-2020, 25-11-2020Communication dans un congrès avec actes -
Challenges in relativistic electronic structure calculations of gas-phase reactivity and thermodynamics of actinide species
Plutonium Futures 2020, Montpellier, 07-06-2020, 07-06-2020Communication dans un congrès avec actes -
Etude théorique de la réaction de neutralisation I+ - I-
Physical Review A, American Physical Society, 02-2023, 107; 2, 022808Article dans une revue scientifique -
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...) -
Progress on FDE second-order magnetic properties
19th DIRAC Working Group Meeting 2016, Odensee, 29-05-2016, 30-05-2016 -
Applied Computational Actinide Chemistry
Computational Methods in Lanthanide and Actinide Chemistry, John Wiley and Sons, 01-04-2015Partie d'ouvrage -
Predicting solvent effects on the photoelectron spectra of halide ions with WFT-in-DFT embedding
1res Journées Scientifiques du GDR 2035 SolvATE, Nancy, 16-05-2018, 16-05-2018 -
Modeling the Spectra of Heavy Elements in Condensed Phase Using WFT-in-DFT and DFT-in-DFT Embedding
48th Symposium on Theoretical Chemistry (STC 2012), Karlsruhe, 23-09-2012, 23-09-2012Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Spectroscopy of heavy elements species in the condensed phase: a theoretical perspective
Physicochemical Colloquium, Braunschweig, 15-11-2016, 15-11-2016