Recherche
Résultats 31-40 de 71
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Effective bond orders from two-step spin-orbit coupling approaches: The I<sub>2</sub>, At<sub>2</sub> , IO<sup>+</sup>, and AtO<sup>+</sup> case studies
Journal of Chemical Physics, American Institute of Physics, 04-03-2015, 142, 094305Compte-rendu et recension critique d'ouvragetexte intégral -
2020 et les premiers pas du « Cluster de recherche » OVERSEE (mOdélisation innoVante dEs aéRoSols dE radionucléidEs »
Journée scientifique IRePSE, Lille, 13-11-2020, 13-11-2020 -
Probing the unusual π-arene coordination of An-alkyl complexes (An = U, Th)
REHE-2017, 12th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics, Marburg, 02-09-2017, 02-09-2017Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Challenges in relativistic electronic structure calculations of gas-phase reactivity and thermodynamics of actinide species
International Workshop on Theory Frontiers in Actinide Sciences: Chemistry and Materials, Santa Fe, 02-02-2020, 02-02-2020 -
Investigation of thermodynamics properties of gaseous plutonium oxides through a deep dive into electronic structure
Strasbourg satellite meeting to the 16th ICQC: Strong correlation in electronic structure theory, Strasbourg, 24-06-2018, 24-06-2018 -
Electronic structure of actinide systems from relativistic correlated and quantum embedding approaches
Topical meeting on Condensed-Matter Chemistry on Actinides: The Kumatori meeting 2021, Kyoto, 10-02-2021, 10-02-2021 -
Investigating solvent effects on the magnetic properties of molybdate ions (MoO<sub>4</sub><sup>2-</sup>) with relativistic embedding
International Journal of Quantum Chemistry, Wiley, 01-11-2020, e26207Compte-rendu et recension critique d'ouvragetexte intégral -
On the Multi-Reference Nature of Plutonium Oxides: PuO<sub>2</sub><sup>2+</sup>, PuO<sub>2</sub>, PuO<sub>3</sub> and PuO<sub>2</sub>(OH)<sub>2</sub>
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 13-01-2017, 19, 4317-4329Compte-rendu et recension critique d'ouvragetexte intégral -
Electronic structure of uranyl complexes probed by valence and X-ray spectroscopy
2024 MRS Spring Meeting, Seattle, 22-04-2024, 22-04-2024 -
Solvation effects on halides core spectra with Multilevel Real-Time quantum embedding
25-01-2024Pré-publication ou Document de travailtexte intégral