Auflistung nach Schlagwort "pr3+"

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  • The angular overlap model extended for two-open-shell f and d electrons 
    Ramanantoanina, Harry; Urland, Werner; Cimpoesu, Fanica; Daul, Claude (Cambridge : Royal Society of Chemistry, 2014-05-01)
    We discuss the applicability of the Angular Overlap Model (AOM) to evaluate the electronic structure of lanthanide compounds, which are currently the subject of incredible interest in the field of luminescent materials. ...
  • Ligand field density functional theory for the prediction of future domestic lighting 
    Ramanantoanina, Harry; Urland, Werner; Garcia-Fuente, Amador; Cimpoesu, Fanica; Daul, Claude (Cambridge : Royal Society of Chemistry, 2014-05-13)
    We deal with the computational determination of the electronic structure and properties of lanthanide ions in complexes and extended structures having open-shell f and d configurations. Particularly, we present conceptual ...