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Résultats 1-5 de 5
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Modeling environment effect on heavy-element compounds
Comprehensive Computational Chemistry, Elsevier, 2024, 3Partie d'ouvrage -
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 -
Interoperable Workflows by Exchanging Grid-Based Data between Quantum-Chemical Program Packages
Journal of Chemical Physics, American Institute of Physics, 2024, 160; 16, 162503Compte-rendu et recension critique d'ouvragetexte intégral -
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