Publicaciones en colaboración con investigadores/as de University of Florence (2)

1999

  1. DFT description of mixed valence magnetic systems. Mn(III)-Mn(IV) and Fe(II)-Fe(III) complexes

    Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals, Vol. 335, pp. 1377-1386

1998

  1. Assessment of a combined QM/MM approach for the study of large nitroxide systems in vacuo and in condensed phases

    Journal of the American Chemical Society, Vol. 120, Núm. 28, pp. 7069-7078