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On the electronic structure of methyl butyrate and methyl valerate
The European Physical Journal D : Atomic, molecular, optical and plasma physics, EDP Sciences, 14-04-2020, 74; 7Compte-rendu et recension critique d'ouvragetexte intégral -
Topological Swing of Bloch Oscillations in Quantum Walks
Physical Review Letters, American Physical Society, 23-07-2020, 125; 18Compte-rendu et recension critique d'ouvragetexte intégral -
Environmental effects with Frozen Density Embedding in Real-Time Time-Dependent Density Functional Theory using localized basis functions
Journal of Chemical Theory and Computation, American Chemical Society, 08-09-2020, 16; 9, 5695-5711Compte-rendu et recension critique d'ouvragetexte intégral -
Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 05-01-2021, 23, 2229-2237Compte-rendu et recension critique d'ouvragetexte intégral -
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 travailtexte intégral -
Structure–Property Relationships in Photoluminescent Bismuth Halide Organic Hybrid Materials
INORGANIC CHEMISTRY, American Chemical Society, 05-07-2021, 60; 13, 9727--9744Compte-rendu et recension critique d'ouvragetexte intégral -
Influence of the first coordination of uranyl on its luminescence properties: study of uranyl binitrate with N,N-dialkyl amide DEHiBA and water
Inorganic Chemistry, American Chemical Society, 17-01-2022, 61; 2, 890–901Compte-rendu et recension critique d'ouvragetexte intégral -
Investigating solvent effects on the magnetic properties of molybdate ions (MoO<sub>4</sub><sup>2-</sup>) with relativistic embedding
International Journal of Quantum Chemistry, Wiley, 01-11-2020, e26207Compte-rendu et recension critique d'ouvragetexte intégral -
Investigation of the luminescence of [UO<sub>2</sub>X<sub>4</sub>]<sup>2-</sup> (X=Cl, Br) complexes in organic phase using time-resolved laser-induced fluorescence spectroscopy and quantum chemical simulations
INORGANIC CHEMISTRY, American Chemical Society, 2020, 59; 9, 5896-5906Compte-rendu et recension critique d'ouvragetexte intégral -
Solvation effects on halides core spectra with Multilevel Real-Time quantum embedding
25-01-2024Pré-publication ou Document de travailtexte intégral