Publicaciones en colaboración con investigadores/as de Universidad Politécnica de Valencia (9)

2024

  1. Translocation and Confinement of Tetraamines in Adaptable Microporous Cavities

    Angewandte Chemie - International Edition, Vol. 63, Núm. 30

2023

  1. Analysis of gallium phosphide nanoindentation by means of molecular dynamics simulations

    European Society for Precision Engineering and Nanotechnology, Conference Proceedings - 23rd International Conference and Exhibition, EUSPEN 2023

  2. Computer Generation of Hypothetical Zeolites

    AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials (wiley), pp. 145-172

  3. Drug screening of α-amylase inhibitors as candidates for treating diabetes

    Journal of Cellular and Molecular Medicine, Vol. 27, Núm. 15, pp. 2249-2260

  4. Effect of Intracrystalline Silanol Defects on the Diffusivity of Benzene in Silicalite Zeolite

    Chemie-Ingenieur-Technik, Vol. 95, Núm. 11, pp. 1768-1776

2022

  1. Molecular Simulation of Biobutanol Recovery Using LTA and CHA Zeolite Nanosheets with an External Surface

    Journal of Physical Chemistry C, Vol. 126, Núm. 41, pp. 17680-17691

2021

  1. Probing the potential of ureasil-poly(ethylene oxide) as a glyphosate scavenger in aqueous milieu: Force-field parameterization and MD simulations

    New Journal of Chemistry, Vol. 45, Núm. 42, pp. 19831-19841

  2. Separation of an aqueous mixture of 6-kestose/sucrose with zeolites: A molecular dynamics simulation

    Microporous and Mesoporous Materials, Vol. 319

2020

  1. Sequential pore wall functionalization in covalent organic frameworks and application to stable camptothecin delivery systems

    Materials Science and Engineering C, Vol. 117