Publicaciones en colaboración con investigadores/as de University of Illinois at Urbana Champaign (12)

2008

  1. The SIESTA method; Developments and applicability

    Journal of Physics Condensed Matter, Vol. 20, Núm. 6

2004

  1. Simulations of minerals using density-functional theory based on atomic orbitals for linear scaling

    Physics and Chemistry of Minerals, Vol. 31, Núm. 1, pp. 12-21

2001

  1. First principles study of the adsorption of C60 on Si(1 1 1)

    Surface Science

  2. Hybrid DNA-gold nanostructured materials: An ab initio approach

    Nanotechnology

  3. Zigzag equilibrium structure in monatomic wires

    Surface Science, Vol. 482-485, Núm. PART 2, pp. 1261-1265

2000

  1. Comment on “identifying molecular orientation of individual C60 on a Si(111)-(7 × 7) surface”

    Physical Review Letters, Vol. 85, Núm. 12, pp. 2653

  2. Do thiols merely passivate gold nanoclusters?

    Physical Review Letters, Vol. 85, Núm. 24, pp. 5250-5251

  3. Seeing molecular orbitals

    Chemical Physics Letters, Vol. 321, Núm. 1-2, pp. 78-82

  4. The structure and dynamics of crystalline durene by neutron scattering and numerical modelling using density functional methods

    Chemical Physics, Vol. 261, Núm. 1-2, pp. 189-203

1999

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

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

  2. Stiff monatomic gold wires with a spinning zigzag geometry

    Physical Review Letters, Vol. 83, Núm. 19, pp. 3884-3887

1996

  1. Self-consistent order density-functional calculations for very large systems

    Physical Review B - Condensed Matter and Materials Physics, Vol. 53, Núm. 16, pp. R10441-R10444