Articles (4) Publicacions en què ha participat algun/a investigador/a

1998

  1. Ab initio study of magnetic coupling in aniline-based molecules: Role of Fe atoms

    Journal of Computer-Aided Materials Design, Vol. 5, Núm. 1, pp. 1-16

  2. Density functional theory calculations of magnetic coupling in systems containing organic molecules and transition metal atoms: Natural magnetic orbital analysis

    Computational Materials Science, Vol. 11, Núm. 3, pp. 181-188

  3. Density functional theory study of magnetic coupling between Cu atoms and aniline molecules

    Journal of Computer-Aided Materials Design, Vol. 5, Núm. 1, pp. 17-29

  4. Magnetic properties of molecular systems: A nonlocal spin density functional study

    Computational Materials Science, Vol. 10, Núm. 1-4, pp. 292-297