Publicaciones en colaboración con investigadoras/es de Centro de Investigación y de Estudios Avanzados (13)

2021

  1. Spectroscopic properties of open shell diatomic molecules using Piris natural orbital functionals

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 4, pp. 2953-2963

2019

  1. Natural orbital functional for spin-polarized periodic systems

    Journal of Physics Condensed Matter, Vol. 31, Núm. 16

2013

  1. Molecules with high bond orders and ultrashort bond lengths: CrU, MoU, and WU

    Inorganic Chemistry, Vol. 52, Núm. 6, pp. 2838-2843

  2. Re-examination of the C6Li6 structure: To be, or not to be symmetric

    Chemistry - A European Journal, Vol. 19, Núm. 38, pp. 12668-12672

2012

  1. Characterization of TiO 2 atomic crystals for nanocomposite materials oriented to optoelectronics

    Optical and Quantum Electronics

  2. Wannier functions approach to van der Waals interactions in ABINIT

    Computer Physics Communications, Vol. 183, Núm. 3, pp. 480-485

2011

  1. Characterization of TiO2 atomic crystals for nanocomposite materials oriented to optoelectronics

    Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD

  2. Structure, electronic, and optical properties of TiO 2 atomic clusters: An ab initio study

    Journal of Chemical Physics, Vol. 135, Núm. 24

2008

  1. Influence of S and P doping in a graphene sheet

    Journal of Computational and Theoretical Nanoscience, Vol. 5, Núm. 11, pp. 2221-2229

  2. The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures

    Journal of Chemical Physics, Vol. 129, Núm. 14

2007

  1. Microscopic investigation of laser-induced structural changes in single-wall carbon nanotubes

    Physical Review B - Condensed Matter and Materials Physics, Vol. 75, Núm. 12

1991

  1. Antiferromagnetic interlayer coupling in Fe/V and Fe/Cr

    Journal of Applied Physics, Vol. 69, Núm. 8, pp. 4544-4546

  2. Magnetic properties of semi-infinite systems of Cr(Fe) on a Fe(Cr) (001) surface

    Surface Science, Vol. 251-252, Núm. C, pp. 51-54