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Résultats 101-110 de 134
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Frequency-Dependent Quadratic Response Properties and Two-photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory
Journal of Chemical Theory and Computation, American Chemical Society, 26-12-2023, 19; 24, 9248-9259Compte-rendu et recension critique d'ouvragetexte intégral -
Unlocking Actinide Chemistry: Navigating Challenges and Insights through the Virtual Laboratory
ICCC 2024 - 45th International Conference on Coordination Chemistry, Fort Collins, CO, 28-07-2024, 28-08-2024 -
Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure
GDR NBODY GENERAL MEETING 2022, Toulouse, 10-01-2022, 10-01-2022 -
Theoretical core spectroscopy of molecules interacting with ice surfaces
Pacifichem, The International Chemical Congress of Pacific Basin Societies, Honolulu, 16-12-2021, 16-12-2021 -
Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures
Journal of Chemical Theory and Computation, American Chemical Society, 09-08-2021, 17, 5509--5529Compte-rendu et recension critique d'ouvragetexte intégral -
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 -
Exploring luminescence properties of uranyl-based complexes by TRLFS and ab initio method
ATAS-AnXAS Workshop, Grenoble, 17-10-2022, 17-10-2022 -
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...) -
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