Publicaciones en colaboración con investigadores/as de Instituto de Ciencia de Materiales de Madrid (13)

2014

  1. Reactivity of coordinatively unsaturated bis(N-heterocyclic carbene) Pt(II) complexes toward H2. Crystal structure of a 14-electron Pt(II) hydride complex

    Inorganic Chemistry, Vol. 53, Núm. 8, pp. 4257-4268

2005

  1. Ballistic resistivity in aluminum nanocontacts

    Physical Review B - Condensed Matter and Materials Physics, Vol. 72, Núm. 24

  2. Molecular electronics with gaussian98/03

    Computational Chemistry: Reviews Of Current Trends, Vol. 9 (World Scientific Publishing Co.), pp. 1-46

2004

  1. Conductance fluctuations in metallic nanocontacts

    Physical Review B - Condensed Matter and Materials Physics, Vol. 70, Núm. 4

  2. Electronic transport and vibrational modes in a small molecular bridge: H2in Pt nanocontacts

    Physical Review B - Condensed Matter and Materials Physics, Vol. 69, Núm. 4

2003

  1. Analysis of scanning tunneling spectroscopy experiments from first principles: The test case of C60 adsorbed on Au(111)

    ChemPhysChem, Vol. 4, Núm. 4, pp. 388-392

  2. First-Principles Phase-Coherent Transport in Metallic Nanotubes with Realistic Contacts

    Physical Review Letters, Vol. 90, Núm. 10, pp. 4

  3. First-principles phase-coherent transport in metallic nanotubes with realistic contacts

    Physical Review Letters, Vol. 90, Núm. 10

  4. Implementing the Keldysh formalism into ab initio methods for the calculation of quantum transport: Application to metallic nanocontacts

    Physical Review B - Condensed Matter and Materials Physics, Vol. 67, Núm. 15

  5. Implementing the Keldysh formalism into ab initio methods for the calculation of quantum transport: Application to metallic nanocontacts

    Physical Review B - Condensed Matter and Materials Physics, Vol. 67, Núm. 15, pp. 1553211-1553215

2002

  1. An ab initio approach to electrical transport in molecular devices

    Nanotechnology

2001

  1. Electronic transport through C60 molecules

    Nanotechnology

  2. Fullerene-based molecular nanobridges: A first-principles study

    Physical Review B - Condensed Matter and Materials Physics, Vol. 64, Núm. 11