Publicaciones en colaboración con investigadores/as de Technical University of Denmark (7)

2009

  1. Adsorption of lithium on finite graphitic clusters

    Journal of Physical Chemistry C, Vol. 113, Núm. 3, pp. 939-941

  2. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    Journal of Chemical Physics, Vol. 131, Núm. 1

  3. Formation energies of rutile metal dioxides using density functional theory

    Physical Review B - Condensed Matter and Materials Physics, Vol. 79, Núm. 4

  4. Optical absorption spectra of Ag11 isomers : FFFirst-principles theoretical spectroscopy with time-dependent density functional theory

    European Physical Journal D

  5. Stability and electronic properties of tiO2 nanostructures with and without b and n doping

    Journal of Physical Chemistry C, Vol. 113, Núm. 28, pp. 12301-12308

2008

  1. Electronic and atomic structure of the AlnHn+2 clusters

    Journal of Chemical Physics, Vol. 129, Núm. 7

  2. Scaling relationships for adsorption energies on transition metal oxide, sulfide, and nitride surfaces

    Angewandte Chemie - International Edition, Vol. 47, Núm. 25, pp. 4683-4686