Publicaciones en colaboración con investigadores/as de University of Amsterdam (16)

2024

  1. A simulation study of linker vacancy distribution and its effect on UiO-66 stability

    Microporous and Mesoporous Materials, Vol. 366

2023

  1. Enhancement of formic acid production from carbon dioxide hydrogenation using metal-organic frameworks: Monte Carlo simulation study

    Chemical Engineering Journal, Vol. 467

  2. Evaluation of ZIF-8 flexible force fields for structural and mechanical properties

    Microporous and Mesoporous Materials, Vol. 348

2021

  1. Modifying the hydrophobic nature of MAF-6

    Separation and Purification Technology, Vol. 277

2019

  1. Using Aliphatic Alcohols to Tune Benzene Adsorption in MAF-6

    Advanced Theory and Simulations, Vol. 2, Núm. 11

2015

  1. Enantioselective adsorption in zeolites and metal-organic frameworks

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  2. Selective adsorption of water from mixtures with 1-alcohols by exploitation of molecular packing effects in CuBTC

    Journal of Physical Chemistry C, Vol. 119, Núm. 7, pp. 3658-3666

  3. Separation of Amyl Alcohol Isomers in ZIF-77

    ChemPhysChem, Vol. 16, Núm. 13, pp. 2735-2738

  4. Separation of benzene from mixtures with water, methanol, ethanol, and acetone: Highlighting hydrogen bonding and molecular clustering influences in CuBTC

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 31, pp. 20114-20124

2014

  1. Enantioselective adsorption of ibuprofen and lysine in metal-organic frameworks

    Chemical Communications, Vol. 50, Núm. 74, pp. 10849-10852

2013

  1. Adsorption of hydrogen sulphide on Metal-Organic Frameworks

    RSC Advances, Vol. 3, Núm. 34, pp. 14737-14749

  2. Molecular mechanisms for adsorption in Cu-BTC metal organic framework

    Journal of Physical Chemistry C, Vol. 117, Núm. 21, pp. 11357-11366

  3. Simulation study of structural changes in zeolite RHO

    Journal of Physical Chemistry C, Vol. 117, Núm. 22, pp. 11592-11599

  4. Strategies to simultaneously enhance the hydrostability and the alcohol-water separation behavior of Cu-BTC

    Journal of Physical Chemistry C, Vol. 117, Núm. 40, pp. 20706-20714

2011

  1. Molecular simulation investigation into the performance of Cu-BTC metal-organic frameworks for carbon dioxide-methane separations

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 45, pp. 20453-20460

2010

  1. Analysis of the ITQ-12 zeolite performance in propane - Propylene separations using a combination of experiments and molecular simulations

    Journal of Physical Chemistry C, Vol. 114, Núm. 35, pp. 14907-14914