Publicaciones en colaboración con investigadores/as de Centre National de la Recherche Scientifique (2)

2013

  1. Application of recent double-hybrid density functionals to low-lying singlet-singlet excitation energies of large organic compounds

    Journal of Chemical Physics, Vol. 139, Núm. 16

  2. Is there still room for parameter free double hybrids? Performances of PBE0-DH and B2PLYP over extended benchmark sets

    Journal of Chemical Theory and Computation, Vol. 9, Núm. 8, pp. 3444-3452