Publicacións en colaboración con investigadores/as de Northwestern University (12)

2021

  1. Molecular Simulations of Adsorption and Diffusion in Crystalline Nanoporous Materials

    Materials and Energy (World Scientific), pp. 199-319

2020

  1. Molecular simulations of adsorption and diffusion in crystalline nanoporous materials

    Handbook Of Porous Materials: Synthesis, Properties, Modeling And Key Applications (In 4 Volumes) (World Scientific Publishing Co. Pte. Ltd.), pp. 199-319

2016

  1. RASPA: Molecular simulation software for adsorption and diffusion in flexible nanoporous materials

    Molecular Simulation, Vol. 42, Núm. 2, pp. 81-101

2009

  1. Adsorption and diffusion of water, methanol, and ethanol in all-silica DD3R: Experiments and simulation

    Journal of Physical Chemistry C, Vol. 113, Núm. 32, pp. 14290-14301

  2. Evaluation of various water models for simulation of adsorption in hydrophobic zeolites

    Molecular Simulation, Vol. 35, Núm. 12-13, pp. 1067-1076

2008

  1. Computing the heat of adsorption using molecular simulations: The effect of strong Coulombic interactions

    Journal of Chemical Theory and Computation, Vol. 4, Núm. 7, pp. 1107-1118

  2. Unraveling the argon adsorption processes in MFI-type zeolite

    Journal of Physical Chemistry C, Vol. 112, Núm. 27, pp. 9976-9979

2007

  1. A computational method to characterize framework aluminum in aluminosilicates

    Angewandte Chemie - International Edition, Vol. 46, Núm. 1-2, pp. 276-278

  2. A computational study of CO2, N2, and CH4 adsorption in zeolites

    Adsorption, Vol. 13, Núm. 5-6, pp. 469-476

  3. A simulation study of alkanes in Linde Type A zeolites

    Adsorption Science and Technology, Vol. 25, Núm. 6, pp. 417-427

  4. Understanding aluminum location and non-framework ions effects on alkane adsorption in aluminosilicates: A molecular simulation study

    Journal of Physical Chemistry C, Vol. 111, Núm. 28, pp. 10419-10426

2006

  1. Influence of cation Na/Ca ratio on adsorption in LTA 5A: A systematic molecular simulation study of alkane chain length

    Journal of Physical Chemistry B, Vol. 110, Núm. 47, pp. 23968-23976