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Résultats 31-40 de 86
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Apports de la modélisation théorique à la radiochimie moléculaire
2es Rencontres Rayonnement Radio-Chimie, Nice, 31-08-2022, 31-08-2022 -
Exploring excited state potential energy profile and luminescence properties of f-element complexes by TRLFS and ab initio method
Journées plénières 2022 du GDR EMIE, Dunkerque, 14-06-2022, 14-06-2022 -
Exploration of the Core Valence Separation approximation to obtain the ionization potentials of the core electrons by the EOM-CCSD method according to a 4-component relativistic approach
Première réunion générale du GDR NBODY : Problème Quantique à N Corps en Chimie et Physique, Lille, 08-01-2020, 08-01-2020Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Development of Theoretical Tools for Modeling Core and Valence Spectroscopies and their Applications to Species of Atmospheric Interest
JTMS 2020 : Journées "Théorie, Modélisation et Simulation", Visioconférence, 02-11-2020, 02-11-2020Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Theoretical core spectroscopy of molecules interacting with ice surfaces
SolvATE2020: Scientific Meeting of the GdR SolvATE, Online, 25-11-2020, 25-11-2020Communication dans un congrès avec actes -
Combining DMRG with standard relativistic multireference methods to probe the properties of plutonium oxide molecules
AVS 64th International Symposium, Tampa, Florida, 31-10-2017, 31-10-2017 -
Investigation of thermodynamics properties of gaseous plutonium oxides through a deep dive into electronic structure
10th International Conference on f-Elements (ICFE-10), Lausanne, 03-09-2018, 03-09-2018 -
Environmental Effects with Frozen-Density Embedding in the Real-Time Time-Dependent Dirac-Kohn-Sham framework
REHE – 2020/2022 13th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics, Assisi, 26-09-2022, 26-09-2022Autre communication scientifique (congrès sans actes - poster - séminaire...) -
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