Publicaciones en las que colabora con Gunnar Borstel (9)

2013

  1. Adsorption of H, H2, and H2O inside and outside of (M@Si16F)6 tubelike aggregates and wires (M = V, Ta). A first principles study

    Materials Chemistry and Physics, Vol. 139, Núm. 1, pp. 247-255

2011

  1. First-principles calculations of structural and electronic properties of Ta-doped Si clusters, wires, and bulk systems

    Physical Review B - Condensed Matter and Materials Physics, Vol. 83, Núm. 7

2007

  1. Ab initio calculations of H2O and O2 adsorption on Al2O3 substrates

    Computational Materials Science, Vol. 39, Núm. 3, pp. 587-592

2005

  1. Adsorption and dissociation of water on relaxed alumina clusters: A first principles study

    Physica Status Solidi (B) Basic Research, Vol. 242, Núm. 4, pp. 807-809

2003

  1. First principles calculation of the geometric and electronic structure of (Al2O3)n(Ox) clusters with n<15 and x=0, 1, 2

    Thin Solid Films

  2. Study of (Al2O3)n(Ox) clusters with n ≤ 16 and x = 0, 1, 2 from first principles calculations

    European Physical Journal D

1989

  1. Electronic-structure of atoms and metallic clusters using the wda-approximation for exchange and correlation-effects

    Journal de chimie physique et de physico-chimie biologique, Vol. 86, Núm. 4, pp. 799-821

1988

  1. Theoretical study of the stability of AgN2+, AgN, AgN, AgN- and NaN- clusters as a function of size using the density functional formalism

    Chemical Physics, Vol. 120, Núm. 2, pp. 239-247

  2. X-ray scattering factors of crystalline silicon and germanium from A bond charge model

    Journal of Physics and Chemistry of Solids, Vol. 49, Núm. 9, pp. 1013-1017