Publicaciones en colaboración con investigadores/as de Universidad de Valladolid (119)

2006

  1. Optical absorption spectra of v4+ isomers: One example of first-principles theoretical spectroscopy with time-dependent density functional theory

    Journal of Computational and Theoretical Nanoscience

  2. Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory

    Journal of Chemical Physics, Vol. 125, Núm. 7

  3. TOWARDS NANOSTRUCTURED MATERIALS: AN EXAMPLE OF BORON NANOTUBES

    Progress in Theoretical Chemistry and Physics (Springer Nature), pp. 547-556

2004

  1. Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars

    Chemical Physics Letters, Vol. 398, Núm. 4-6, pp. 292-296

  2. Deformations and thermal stability of carbon nanotube ropes

    IEEE Transactions on Nanotechnology, Vol. 3, Núm. 2, pp. 230-236

  3. Excited states dynamics in time-dependent density functional theory. High-field molecular dissociation and harmonic generation

    European Physical Journal D, Vol. 28, Núm. 2, pp. 211-218

  4. Interaction of molecular and atomic hydrogen with single-wall carbon nanotubes

    IEEE Transactions on Nanotechnology, Vol. 3, Núm. 2, pp. 304-310

  5. Optical properties of nanostructures from time-dependent density functional theory

    Journal of Computational and Theoretical Nanoscience, Vol. 1, Núm. 3, pp. 231-255

  6. Propagators for the time-dependent Kohn-Sham equations

    Journal of Chemical Physics, Vol. 121, Núm. 8, pp. 3425-3433

2003

  1. Correlation energies of light atoms related to pairing between antiparallel spin electrons

    Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 36, Núm. 13, pp. 2695-2705

  2. Coulomb explosion of deuterium cationic clusters

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 68, Núm. 6

  3. Coulomb explosion of deuterium cationic clusters

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 68, Núm. 6, pp. 4

  4. Deformations and thermal stability of carbon nanotube ropes

    Proceedings of SPIE - The International Society for Optical Engineering

  5. Interaction of molecular and atomic hydrogen with single wall carbon nanotubes

    Proceedings of SPIE - The International Society for Optical Engineering

  6. Octopus: A first-principles tool for excited electron-ion dynamics

    Computer Physics Communications, Vol. 151, Núm. 1, pp. 60-78

  7. Solution of Poisson's equation for finite systems using plane-wave methods

    Canadian Journal of Physics, Vol. 81, Núm. 10, pp. 1151-1164

  8. Structural and thermal properties of silicon-doped fullerenes

    Journal of Chemical Physics, Vol. 119, Núm. 2, pp. 1127-1135

  9. Time-Dependent Density-Functional Approach for Biological Chromophores: The Case of the Green Fluorescent Protein

    Physical Review Letters, Vol. 90, Núm. 25, pp. 4

2002

  1. Can optical spectroscopy directly elucidate the ground state of C20?

    Journal of Chemical Physics, Vol. 116, Núm. 5, pp. 1930-1933

  2. Interaction of molecular and atomic hydrogen with (5,5) and (6,6) single-wall carbon nanotubes

    Journal of Chemical Physics, Vol. 117, Núm. 5, pp. 2281-2288