Publicaciones en colaboración con investigadores/as de University College London (31)

2022

  1. Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesis

    Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 478, Núm. 2266

2012

  1. Surprising role of the BDC organic ligand in the adsorption of CO 2 by MOF-5

    Microporous and Mesoporous Materials, Vol. 163, pp. 186-191

2011

  1. Are glycine cyclic dimers stable in aqueous solution?

    CrystEngComm, Vol. 13, Núm. 13, pp. 4391-4399

  2. Phase separation and surface segregation in ceria-zirconia solid solutions

    Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences

2010

  1. Exploration of multiple energy landscapes for zirconia nanoclusters

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 30, pp. 8454-8465

  2. Modelling nano-clusters and nucleation

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 4, pp. 786-811

  3. Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and ɛ-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 30, pp. 8632-8639

2007

  1. A multi-technique approach for probing the evolution of structural properties during crystallization of organic materials from solution

    Faraday Discussions, Vol. 136, pp. 71-89

  2. Computer Modelling in Solid-State Chemistry

    TURNING POINTS IN SOLID-STATE, MATERIALS AND SURFACE SCIENCE: A BOOK IN CELEBRATION OF THE LIFE AND WORK OF SIR JOHN MEURIG THOMAS (ROYAL SOC CHEMISTRY), pp. 180-207

  3. Modelling nucleation and nano-particle structures

    Molecular Physics

  4. Symmetry-adapted configurational modelling of fractional site occupancy in solids

    Journal of Physics Condensed Matter, Vol. 19, Núm. 25

2006

  1. Applications of DL_POLY and DL_MULTI to Organic Molecular Crystals

    Molecular Simulation, Vol. 32, Núm. 12-13, pp. 985-997