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Applications of theoretical chemistry tools to nuclear safety issues.
International Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC), Villeneuve d’Ascq, 02-07-2013Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Modelling ruthenium chemistry in primary circuit in severe accident conditions occurring to nuclear power plant.
Material Science and Engineering Conference, Darmstadt, 27-09-2016Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Thermochemistry of ruthenium oxyhydroxides species and their impact on volatile speciation in severe nuclear accident conditions
J. Phys. Chem. A, 2016, 120, Pages 606-614Article dans une revue scientifique -
Thermodynamic Properties of Gaseous Ruthenium Species
Journal of Physical Chemistry. Part A, 04-2015, 119 (20), 4961-4971Article dans une revue scientifique -
Probing the bonding in dimers of tetravalent Cerium and actinide homologues
28th Rare Earth Research Conference, Ames, Iowa, 18-06-2017, 18-06-2017Communication 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 -
Calculation of the vibronic structure of the X 2? photoelectron spectra of XCN, X = F, Cl, Br.
Journal of Chemical Physics, American Institute of Physics, 27-01-2006, 124, 44317Article dans une revue scientifique -
Complexation of Cm(III) and Eu(III) with aqueous phosphate: a combined luminescence, thermodynamic, and ab initio study
11th international conference on f elements, Strasbourg, 22-08-2023, 22-08-2023 -
Excited states of polonium(IV): electron correlation and spin–orbit coupling in the Po4+ free ion and in the bare and solvated [PoCl5]− and [PoCl6]2− complexes
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2023, 25, 24603-24612Article dans une revue scientifique -
Protactinium and the intersection of actinide and transition metal chemistry
Nature Communications, Nature Publishing Group, 12-02-2018, 9; 1, 622Compte-rendu et recension critique d'ouvragetexte intégral