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Exploring the dynamic and thermodynamic properties of halides through molecular dynamics simulations
Journées de la solvatation, Lille, 08-10-2018, 08-10-2018Communication dans un congrès avec actes -
Challenges in relativistic electronic structure calculations of gas-phase reactivity and thermodynamics of actinide species
Plutonium Futures 2020, Montpellier, 07-06-2020, 07-06-2020Communication dans un congrès avec actes -
Getting to know the enigmatic astatine: towards the theoretical modeling of astatine-contaning species in condensed phase
11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics (REHE-2014), Smolenice, 20-09-2014, 20-09-2014Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Modeling the Spectra of Heavy Elements in Condensed Phase Using WFT-in-DFT and DFT-in-DFT Embedding
48th Symposium on Theoretical Chemistry (STC 2012), Karlsruhe, 23-09-2012, 23-09-2012Autre communication scientifique (congrès sans actes - poster - séminaire...) -
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 -
Caractérisation des Radioéléments par Modélisation Moléculaire
COLLOQUE MÉTALLO-MIX -- Les éléments métalliques : un trait d’union entre les sciences, Paris, 03-10-2019, 03-10-2019 -
Accurate Predictions of Volatile Plutonium Thermodynamic Properties
Inorganic Chemistry, American Chemical Society, 14-10-2019, 58, 14507-14521Compte-rendu et recension critique d'ouvragetexte intégral -
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 -
Electronic structure investigation of the evanescent AtO<sup>+</sup> ion
7th Molecular Quantum Mechanics, Lugano, 02-06-2013, 02-06-2013Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Exploring the dynamic and thermodynamic properties of halides through molecular dynamics simulations
257th American Chemical Society National Meeting, Orlando, 31-01-2019, 31-03-2019