Publicaciones en colaboración con investigadores/as de National Institute of Standards and Technology (16)

2012

  1. A computational analysis of non-covalent interactions between aromatic compounds

    Journal of Computational Methods in Sciences and Engineering

2008

  1. Dipole orientation and surface cluster size effects on chemisorption- induced magnetism: A DFT study of the interaction of gold-thiopolypeptide

    Journal of Physical Chemistry A, Vol. 112, Núm. 40, pp. 9771-9783

  2. On the formation of suspended noble-metal monatomic chains

    Physical Review B - Condensed Matter and Materials Physics, Vol. 78, Núm. 11

2007

  1. A quasimolecular approach to the field-effect molecular transistor: Theory and application

    2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings

  2. Density-functional study of magnetism in bare Au nanoclusters: Evidence of permanent size-dependent spin polarization without geometry relaxation

    Physical Review B - Condensed Matter and Materials Physics, Vol. 75, Núm. 14

  3. Size dependence of ferromagnetism in gold nanoparticles: Mean field results

    Physical Review B - Condensed Matter and Materials Physics, Vol. 76, Núm. 22

2000

  1. Molecular wire conductance: Electrostatic potential spatial profile

    Journal of Chemical Physics, Vol. 112, Núm. 15, pp. 6834-6839

1996

  1. Molecular wires: Extended coupling and disorder effects

    Journal of Physical Chemistry, Vol. 100, Núm. 20, pp. 8349-8355