All Stories

  1. A density functional theory based tight-binding study on the water effect on nanostructuring of choline chloride + ethylene glycol deep eutectic solvent

    Article • The Journal of Chemical Physics, May 2022, American Institute of Physics

    Professor Santiago Aparicio

  2. Insights on novel type V deep eutectic solvents based on levulinic acid

    Article • The Journal of Chemical Physics, March 2022, American Institute of Physics

    Professor Santiago Aparicio

  3. Nanoscopic study on carvone-terpene based natural deep eutectic solvents

    Article • The Journal of Chemical Physics, December 2021, American Institute of Physics

    Professor Santiago Aparicio

  4. Theoretical insights into the cineole-based deep eutectic solvents

    Article • The Journal of Chemical Physics, May 2021, American Institute of Physics

    Professor Santiago Aparicio

  5. A density functional theory insight towards the rational design of ionic liquids for SO2 capture

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Santiago Aparicio

  6. Adsorption of choline benzoate ionic liquid on graphene, silicene, germanene and boron-nitride nanosheets: a DFT perspective

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Santiago Aparicio

  7. A detailed study of cholinium chloride and levulinic acid deep eutectic solvent system for CO2 capture via experimental and molecular simulation approaches

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Santiago Aparicio

  8. Assessment of DFT methods for studying acid gas capture by ionic liquids

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Santiago Aparicio

  9. A theoretical study on ionic liquid endohedral C540 fullerene

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Professor Santiago Aparicio