José Manuel López Rodríguez-rekin lankidetzan egindako argitalpenak (30)

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. Substituting a copper atom modifies the melting of aluminum clusters

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

2007

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

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

  2. 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. Melting-like transition in a ternary alkali nanoalloy: Li 13Na30Cs12

    Journal of Chemical Theory and Computation, Vol. 1, Núm. 2, pp. 299-306

  3. Molecular dynamics simulations of the meltinglike transition in Li 13Na 42 and Na 13Cs 42 clusters

    Physical Review B - Condensed Matter and Materials Physics, Vol. 71, Núm. 7

  4. Structural and thermal behavior of compact core-shell nanoparticles: Core instabilities and dynamic contributions to surface thermal stability

    Physical Review B - Condensed Matter and Materials Physics, Vol. 72, Núm. 20