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Final-state-resolved mutual neutralization in I<sup>+</sup> - I<sup>−</sup> collisions
Physical Review A, American Physical Society, 18-07-2022, 106; 1, 012812Article dans une revue scientifiquefulltext -
Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations
Pré-publication ou Document de travailfulltext -
Simulating core electron binding energies of halogenated species adsorbed on ice surfaces and in solution with relativistic quantum embedding calculations
Pré-publication ou Document de travailfulltext -
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 scientifiquefulltext -
Accurate Predictions of Volatile Plutonium Thermodynamic Properties
Inorganic Chemistry, American Chemical Society, 14-10-2019, 58, 14507-14521Compte-rendu et recension critique d'ouvragefulltext -
Properties of the tetravalent actinide series in aqueous phase from a microscopic simulation automated engine
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 28-01-2020, 22, 2343-2350Compte-rendu et recension critique d'ouvragefulltext -
A Topological Data Analysis Perspective on Non-Covalent Interactions in Relativistic Calculations
International Journal of Quantum Chemistry, Wiley, 17-12-2019, e26133Compte-rendu et recension critique d'ouvragefulltext -
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures
Journal of Chemical Theory and Computation, American Chemical Society, 23-01-2024, 20; 2, 677–694Compte-rendu et recension critique d'ouvragefulltext -
Stability of the protactinium(V) mono-oxo cation probed by first-principle calculations
Chemistry - a European Journal, Wiley-VCH Verlag, 2024, 30; 15, e202304068Compte-rendu et recension critique d'ouvragefulltext -
Frequency-Dependent Quadratic Response Properties and Two-photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory
Journal of Chemical Theory and Computation, American Chemical Society, 26-12-2023, 19; 24, 9248-9259Compte-rendu et recension critique d'ouvragefulltext