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Simulating core electron binding energies of halogenated species adsorbed on ice surfaces and in solution with relativistic quantum embedding calculations
Physical Chemistry Chemical Physics; 24, Royal Society of Chemistry, 18-05-2022, 14390-14407Compte-rendu et recension critique d'ouvragetexte intégral -
Towards systematically improvable models for actinides in condensed phase: the electronic spectrum of uranyl in Cs2UO2Cl4 as a test case.
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 21-08-2013, 15; 36, 15153-62Compte-rendu et recension critique d'ouvrage -
Electronic spectroscopy of UO2(2+), NUO(+) and NUN: an evaluation of time-dependent density functional theory for actinides.
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 07-04-2011, 13, 6249-59Compte-rendu et recension critique d'ouvragetexte intégral