Recherche
Résultats 1-10 de 10
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Modeling environment effect on heavy-element compounds
Comprehensive Computational Chemistry, Elsevier, 2024, 3Partie d'ouvrage -
Complexation of curium(III) and europium(III) with aqueous phosphates: a combined experimental, thermodynamic, and ab initio study
Atalante 2024, Avignon (FR), 01-09-2024, 12-01-2024Autre communication scientifique (congrès sans actes - poster - séminaire...) -
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 -
Complexation of curium(III) and europium(III) with aqueous phosphates: a combined experimental, thermodynamic, and ab initio study
R3C 2024, 3ème Rencontres Rayonnement Radiochimie, Nîmes (France), 18-06-2024, 18-06-2024Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures
Journal of Chemical Theory and Computation, American Chemical Society, 23-01-2024, 20; 2, 677–694Compte-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 -
Effect of ligands on Pa<sup>5+</sup> and PaO<sup>3+</sup> relative stabilities: A computational study
53rd Journées des Actinides international conference, Lille, 15-04-2024, 15-04-2024 -
Stability of the protactinium(V) mono-oxo cation probed by first-principle calculations
Chemistry - a European Journal, Wiley-VCH Verlag, 2024, 30; 15, e202304068Compte-rendu et recension critique d'ouvragetexte intégral -
Chemistry and speciation of protactinium +IV – a theoretical study
53rd Journées des Actinides international conference, Lille, 15-04-2024, 15-04-2024