Publications by the researcher in collaboration with NURIA AGUILAR CUESTA (11)

2026

  1. Molecular layering and CO₂ selectivity in graphene-supported natural deep eutectic solvent films: An in-silico investigation

    FlatChem, Vol. 55

2025

  1. A Molecular Dynamics Study of Deep Eutectic Solvents Confined in Graphene Slit Nanopores

    Journal of Molecular Liquids, Vol. 438

  2. An in silico study on the carbon capture performance of menthol-based natural deep eutectic solvent

    Fuel, Vol. 392

  3. Computational study of eco-friendly PFOA extraction via matrine-based low melting mixture

    Journal of Molecular Liquids, Vol. 422

  4. In silico exploration of graphene nanoflakes: From DFT simulations to machine learning-driven toxicity predictions

    NanoImpact, Vol. 38

2024

  1. Insights into Carvone: Fatty Acid Hydrophobic NADES for Alkane Solubilization

    Energy and Fuels, Vol. 38, Núm. 24, pp. 23633-23653

  2. Manganese-rhodium nanoparticles: Adsorption on titanium oxide surfaces and catalyst for syngas reactions

    Journal of Chemical Physics, Vol. 161, Núm. 2

  3. Natural Hydrophobic Deep Eutectic Solvents for hydrocarbons solubilization

  4. On the search of green solvents for helicene solubility: a computational approach into thymol-decanoic acid Natural Deep Eutectic Solvent

  5. Theoretical multiscale study on the properties, aqueous solution behavior and biological impact of zinc oxide nanoparticles

    Surfaces and Interfaces, Vol. 46

  6. Theoretical study of Hydrophobic Deep Eutectic Solvent under confinement in carbon slit-like nanopores and the effect of External Electric Fields