Recherche
Résultats 1-10 de 31
-
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 -
Incorporating many-body and environment effects on luminescence and core spectroscopies
GDR NBODY GENERAL MEETING 2022, Toulouse, 10-01-2022, 10-01-2022 -
Surface spectroscopic analysis of aqueous phase iodine oxides : Electron binding energy and surface propensity
iCACGP-IGAC joint International Atmospheric Chemistry conference, Manchester, 11-09-2022, 11-09-2022 -
Modeling environment effect on heavy-element compounds
Comprehensive Computational Chemistry, Elsevier, 2024, 3Partie d'ouvrage -
Uranium(IV) alkyl cations: synthesis, structures, comparison with thorium(IV) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity
Chemical Science, The Royal Society of Chemistry, 10-11-2022, 13, 13748-13763Compte-rendu et recension critique d'ouvragetexte intégral -
The electronic structure of actinides tailored by relativistic quantum chemistry approaches: applications to X-ray spectroscopies
European Conference on Computational and Theoretical Chemistry (CompChem 2023), Thessaloniki, 27-08-2023, 27-08-2023 -
Cover Image, Volume 120, Issue 21
International Journal of Quantum Chemistry, Wiley, 01-11-2020, 120; 21Compte-rendu et recension critique d'ouvrage -
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 -
Apports de la modélisation théorique à la radiochimie moléculaire
2es Rencontres Rayonnement Radio-Chimie, Nice, 31-08-2022, 31-08-2022