Publicaciones en las que colabora con José Manuel López Rodríguez (43)

2013

  1. An Orbital Free ab initio Method: Applications to Liquid Metals and Clusters

    Recent Progress in Orbital-free Density Functional Theory (World Scientific Publishing Co.), pp. 55-145

  2. Electronic shell and dynamical coexistence effects in the melting of aluminum clusters: An interpretation of the calorimetric experiments through computer simulation

    Journal of Physical Chemistry Letters, Vol. 4, Núm. 14, pp. 2397-2403

2012

  1. Neutral and charged gallium clusters: Structures, physical properties and implications for the melting features

    Nanoscale, Vol. 4, Núm. 20, pp. 6481-6492

2011

  1. Identifying structural and energetic trends in isovalent core-shell nanoalloys as a function of composition and size mismatch

    Journal of Chemical Physics, Vol. 135, Núm. 13

2010

  1. Activation of dinitrogen by solid and liquid aluminum nanoclusters: A combined experimental and theoretical study

    Journal of the American Chemical Society, Vol. 132, Núm. 37, pp. 12906-12918

  2. Structure determination in 55-atom Li-Na and Na-K nanoalloys

    Journal of Chemical Physics, Vol. 133, Núm. 9

2009

  1. Atomic layering and related postmelting effects in small liquid metal clusters

    Physical Review B - Condensed Matter and Materials Physics, Vol. 79, Núm. 16

  2. Electronic effects on melting: Comparison of aluminum cluster anions and cations

    Journal of Chemical Physics, Vol. 131, Núm. 4

  3. Structures and stabilities of Aln+, Aln, and Aln- (n=13-34) clusters

    Journal of Chemical Physics, Vol. 130, Núm. 6

2008

  1. Correlation between the latent heats and cohesive energies of metal clusters

    Journal of Chemical Physics, Vol. 129, Núm. 14

  2. Structural, dynamic, and electronic properties of liquid tin: An ab initio molecular dynamics study

    Journal of Chemical Physics, Vol. 129, Núm. 19

  3. Substituting a copper atom modifies the melting of aluminum clusters

    Journal of Chemical Physics, Vol. 129, Núm. 12

2007

  1. Atomic clustering in liquid Al3Li: An orbital free ab initio study

    Journal of Non-Crystalline Solids, Vol. 353, Núm. 32-40, pp. 3528-3531

  2. Chapter 3 Computer simulation of the solid-liquid phase transition in alkali metal nanoparticles

    Theoretical and Computational Chemistry, Vol. 18, pp. 59-83

  3. Melting transition in rotating sodium clusters

    Journal of Computational Methods in Sciences and Engineering, Vol. 7, Núm. 5-6, pp. 339-353

2006

  1. First-principles structures and stabilities of AlN+ (N = 46-62) clusters

    Journal of Physical Chemistry B, Vol. 110, Núm. 29, pp. 14020-14023

  2. Molecular dynamics simulation of the melting-like transition in K 1Na54

    Computational Materials Science

  3. Small sodium clusters that melt gradually: Melting mechanisms in Na30

    Physical Review B - Condensed Matter and Materials Physics, Vol. 74, Núm. 11

2005

  1. Anomalous size dependence in the melting temperatures of free sodium clusters: An explanation for the calorimetry experiments

    Physical Review Letters, Vol. 94, Núm. 23

  2. Collective modes in liquid binary alloys. An ab initio molecular dynamics study of the LiMg and LiBa alloys

    Journal of Physics Condensed Matter, Vol. 17, Núm. 10, pp. 1429-1456