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Now showing items 51-57 of 57
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Electronic structure investigation of the evanescent AtO<sup>+</sup> ion
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 10-02-2014, 16, 9238Compte-rendu et recension critique d'ouvrage -
Environmental Effects with Frozen-Density Embedding in the Real-Time Time-Dependent Dirac-Kohn-Sham framework
Workshop of the GDR quantum gases, Lille, 24-10-2022, 24-10-2022Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Structural, dynamical, and transport properties of the hydrated halides: How do At<sup>-</sup> bulk properties compare with those of the other halides, from F<sup>-</sup> to I<sup>-</sup>?
The Journal of Chemical Physics, American Institute of Physics, 28-03-2016, 144, 124513Compte-rendu et recension critique d'ouvrage -
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
The Journal of Chemical Physics, American Institute of Physics, 04-03-2015, 142, 094305Compte-rendu et recension critique d'ouvragefulltext -
Interoperable Workflows by Exchanging Grid-Based Data between Quantum-Chemical Program Packages
The Journal of Chemical Physics, American Institute of Physics, 2024, 160; 16, 162503Compte-rendu et recension critique d'ouvragefulltext -
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 -
Vision lilloise de la modélisation moléculaire de systèmes complexes environnés
Rencontres Prospectives 2019 : "Modélisations multi-échelle", Nantes, 11-06-2019, 11-06-2019