Publicaciones en colaboración con investigadores/as de Universidad de Sevilla (11)

2019

  1. Synthesis and characterization of elongated-shaped silver nanoparticles as a biocompatible anisotropic sers probe for intracellular imaging: Theoretical modeling and experimental verification

    Nanomaterials, Vol. 9, Núm. 2

2008

  1. Vapour-liquid equilibrium of fluids composed by oblate molecules

    Molecular Physics, Vol. 106, Núm. 11, pp. 1331-1339

2006

  1. The hydration of Cu2+: Can the Jahn-Teller effect be detected in liquid solution?

    Journal of Chemical Physics, Vol. 124, Núm. 6

2005

  1. Ab initio x-ray absorption study of copper K -edge XANES spectra in Cu(II) compounds

    Physical Review B - Condensed Matter and Materials Physics, Vol. 71, Núm. 13

2004

  1. A molecular dynamics study on Rh3+ hydration: Development and application of a first principles hydrated ion-water interaction potential

    Theoretical Chemistry Accounts, Vol. 111, Núm. 2-6, pp. 101-109

  2. Nature of metal binding sites in Cu(II) complexes with histidine and related N-coordinating ligands, as studied by EXAFS

    Inorganic Chemistry, Vol. 43, Núm. 21, pp. 6674-6683

2003

  1. Interplay of computer simulations and x-ray absorption spectra in the study of the bromide hydration structure

    Journal of Chemical Physics, Vol. 119, Núm. 13, pp. 6647-6654

2002

  1. Exploring the capabilities of x-ray absorption spectroscopy for determining the structure of electrolyte solutions: Computed spectra for Cr3+ or Rh3+ in water based on molecular dynamics

    Journal of the American Chemical Society, Vol. 124, Núm. 36, pp. 10911-10920

2001

  1. Combination of XANES spectroscopy and molecular dynamics to probe the local structure in disordered systems

    Physical Review B - Condensed Matter and Materials Physics, Vol. 64, Núm. 9

  2. Molecular-dynamics-based investigation of scattering path contributions to the EXAFS spectrum: The (formula presented) aqueous solution case

    Physical Review B - Condensed Matter and Materials Physics, Vol. 64, Núm. 1

  3. Molecular-dynamics-based investigation of scattering path contributions to the EXAFS spectrum: The Cr3+ aqueous solution case

    Physical Review B - Condensed Matter and Materials Physics, Vol. 64, Núm. 1, pp. 122011-122014