Publikationen in Zusammenarbeit mit Forschern von Universidade de Vigo (7)

2024

  1. Upper storage-capacity limit and multiple occupancy phenomena in H2-hydroquinone clathrates using Monte Carlo and DFT simulations

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 8, pp. 6939-6948

2022

  1. Evaluation of hydrogen storage ability of hydroquinone clathrates using molecular simulations

    Journal of Molecular Liquids, Vol. 360

2020

  1. Ionic liquids nanoconfined in zeolite-templated carbon: A computational study

    Journal of Molecular Liquids, Vol. 318

  2. The interaction of ammonia with the protic ionic liquid ethylammonium nitrate: A simulation study

    Journal of Molecular Liquids, Vol. 320

2014

  1. Molecular dynamics simulations of the structure of the graphene-ionic liquid/alkali salt mixtures interface

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 26, pp. 13271-13278

  2. Properties and Green Aspects of Ionic Liquids

    Ionic Liquids in Separation Technology (Elsevier Ltd), pp. 1-93

2013

  1. MD simulations of the formation of stable clusters in mixtures of alkaline salts and imidazolium-based ionic liquids

    Journal of Physical Chemistry B, Vol. 117, Núm. 11, pp. 3207-3220