Publikationen in Zusammenarbeit mit Forschern von Universidad de Oviedo (14)

2020

  1. Siesta: Recent developments and applications

    The Journal of chemical physics, Vol. 152, Núm. 20, pp. 204108

1999

  1. Ab initio structural, elastic, and vibrational properties of carbon nanotubes

    Physical Review B - Condensed Matter and Materials Physics, Vol. 59, Núm. 19, pp. 12678-12688

  2. Application of local-spin-density approximation to (formula presented) and tetrahedral (formula presented)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 15, pp. 10594-10597

  3. Atomic layering at the liquid silicon surface: A first-principles simulation

    Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 24, pp. R16283-R16286

  4. Bonding and diffusion of Ba on a Si(001) reconstructed surface

    Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 7, pp. 4968-4971

  5. Electronic states in a finite carbon nanotube: A one-dimensional quantum box

    Physical Review Letters, Vol. 82, Núm. 17, pp. 3520-3523

  6. Linear-scaling ab-initio calculations for large and complex systems

    Physica Status Solidi (B) Basic Research, Vol. 215, Núm. 1, pp. 809-817

  7. Structure and thermal stability of gold nanoclusters: The Au38 case

    European Physical Journal D, Vol. 9, Núm. 1-4, pp. 211-215

1998

  1. Ab initio study of (NaCl) nNa+ clusters

    Canadian Journal of Physics, Vol. 76, Núm. 4, pp. 311-320

  2. Lowest energy structures of gold nanoclusters

    Physical Review Letters, Vol. 81, Núm. 8, pp. 1600-1603

1997

  1. Density-functional method for very large systems with LCAO basis sets

    International Journal of Quantum Chemistry, Vol. 65, Núm. 5, pp. 453-461

1995

  1. Theoretical study of (NaCl)n clusters

    Physica B: Physics of Condensed Matter, Vol. 212, Núm. 4, pp. 329-342

1993

  1. Molecular orbital calculations on (MgO)n and (MgO) n+ clusters (n=1-13)

    The Journal of Chemical Physics, Vol. 98, Núm. 6, pp. 4783-4792

  2. Theoretical study of NaCl clusters

    Zeitschrift für Physik D Atoms, Molecules and Clusters, Vol. 26, Núm. 1 Supplement, pp. 213-215