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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 -
Relativistic equation of motion coupled cluster theory
Première réunion générale du GDR NBODY : Problème Quantique à N Corps en Chimie et Physique, Lille, 08-01-2020, 08-01-2020 -
Accessing Properties of Large Actinide systems with Frozen-Density Embedding
Pacifichem, The International Chemical Congress of Pacific Basin Societies, Honolulu, Hawaii, 14-12-2015, 14-12-2015 -
Probing the unusual π-arene coordination of An-alkyl complexes (An = U, Th)
REHE-2017, 12th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics, Marburg, 02-09-2017, 02-09-2017Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Challenges in relativistic electronic structure calculations of gas-phase reactivity and thermodynamics of actinide species
International Workshop on Theory Frontiers in Actinide Sciences: Chemistry and Materials, Santa Fe, 02-02-2020, 02-02-2020 -
Investigation of thermodynamics properties of gaseous plutonium oxides through a deep dive into electronic structure
Strasbourg satellite meeting to the 16th ICQC: Strong correlation in electronic structure theory, Strasbourg, 24-06-2018, 24-06-2018 -
Electronic structure of actinide systems from relativistic correlated and quantum embedding approaches
Topical meeting on Condensed-Matter Chemistry on Actinides: The Kumatori meeting 2021, Kyoto, 10-02-2021, 10-02-2021 -
On the Multi-Reference Nature of Plutonium Oxides: PuO<sub>2</sub><sup>2+</sup>, PuO<sub>2</sub>, PuO<sub>3</sub> and PuO<sub>2</sub>(OH)<sub>2</sub>
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 13-01-2017, 19, 4317-4329Compte-rendu et recension critique d'ouvragetexte intégral -
Predictive simulations of ionization energies of solvated halide ions with relativistic embedded Equation of Motion Coupled-Cluster Theory
Physical Review Letters, American Physical Society, 28-12-2018, 121, 266001Compte-rendu et recension critique d'ouvragetexte intégral -
Modélisation moléculaire pour les radioéléments de la phase gazeuse à la phase solvatée
25ème Congrès Général de la Société Française de Physique, Nantes, 08-07-2019, 08-07-2019