Publicaciones en colaboración con investigadores/as de Universidad de La Habana (39)

2018

  1. Screening heteroatom distributions in zeotype materials using an effective Hamiltonian approach: The case of aluminogermanate PKU-9

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 26, pp. 18047-18055

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. Location of extra-framework Co 2+, Ni 2+, Cu 2+ and Zn 2+ cations in natural and dealuminated clinoptilolite

    Microporous and Mesoporous Materials, Vol. 155, pp. 233-239

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

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

  4. 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

  5. ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids

    Dalton Transactions, Vol. 41, Núm. 33, pp. 9989-9999

2010

  1. Locating extra-framework cations in low-silica zeolites by a combinatorial approach of the direct space method and rietveld refinement: Application to Ni2+ and Co2+ enriched clinoptilolite

    Journal of Physical Chemistry C, Vol. 114, Núm. 13, pp. 5964-5974

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

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

  3. Thermochemistry of strontium incorporation in aragonite from atomistic simulations

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

  4. 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

2009

  1. Preparation of natural zeolitic supports for potential biomedical applications

    Materials Chemistry and Physics, Vol. 118, Núm. 2-3, pp. 322-328

  2. Zeolitic imidazole frameworks: Structural and energetics trends compared with their zeolite analogues

    CrystEngComm, Vol. 11, Núm. 11, pp. 2272-2276

  3. Zeolitic polyoxometalate-based metal-organic frameworks (Z-POMOFs): Computational evaluation of hypothetical polymorphs and the successful targeted synthesis of the redox-active Z-POMOF1

    Journal of the American Chemical Society, Vol. 131, Núm. 44, pp. 16078-16087

2008

  1. Separation of electronic and ionic conductivity in mixed conductors from the ac response: Application to Pr0.56 Bi0.04 Li0.2 Ti O3

    Applied Physics Letters, Vol. 93, Núm. 3

2007

  1. Interplay of water, extra-framework cations and framework atoms in the structure of low-silica zeolites: The case of the natural zeolite Goosecreekite as studied by computer simulation

    Physical Chemistry Chemical Physics, Vol. 9, Núm. 4, pp. 521-532

2005

  1. Approaching the structure of heavily defective ionic oxides through atomistic modeling

    Physica Status Solidi C: Conferences

  2. Approaching the structure of heavily defective ionic oxides through atomistic modeling

    Physica Status Solidi C - Conference and Critical Reviews, Vol 2, No 10

2004

  1. Effect of hydration levels and pressure on zeolite structure

    Studies in Surface Science and Catalysis

  2. Pressure-Induced Hydration Effects in the Zeolite Laumontite

    Angewandte Chemie - International Edition, Vol. 43, Núm. 4, pp. 469-472