Publicaciones en colaboración con investigadores/as de University College London (45)

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

2013

  1. Aluminium distribution in ZSM-5 revisited: The role of Al-Al interactions

    Journal of Solid State Chemistry, Vol. 198, pp. 330-336

2012

  1. Chemical insertion in the perovskite solid solutions Pr 0.5+x-yLi 0.5-3xBi y□ 2xTiO 3: Implications on the electrical properties

    Materials Science and Engineering B: Solid-State Materials for Advanced Technology, Vol. 177, Núm. 8, pp. 563-569

  2. Mg/Ca partitioning between aqueous solution and aragonite mineral: A molecular dynamics study

    Chemistry - A European Journal, Vol. 18, Núm. 32, pp. 9828-9833

  3. 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. Step-wise dealumination of natural clinoptilolite: Structural and physicochemical characterization

    Microporous and Mesoporous Materials, Vol. 135, Núm. 1-3, pp. 187-196

  4. Thermochemistry of strontium incorporation in aragonite from atomistic simulations

    Geochimica et Cosmochimica Acta, Vol. 74, Núm. 4, pp. 1320-1328

  5. 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

2008

  1. Clustering of glycine molecules in aqueous solution studied by molecular dynamics simulation

    Journal of Physical Chemistry B, Vol. 112, Núm. 24, pp. 7280-7288