• Physicochemical Insights on Alkylcarbonate-Alkanol Solutions 

      Alcalde, Rafael; Atilhan, Mert; Trenzado, Jose Luis; Aparicio, Santiago ( American Chemical Society , 2016 , Article)
      Macroscopic properties and structuring at the molecular level of dialkylcarbonate + 1-alkanol mixed fluids have been studied as a function of alkyl chain lengths in 1-alkanol and dialkylcarbonate, mixture composition, and ...
    • Properties of Dialkylcarbonate + 1-Alkanol Mixtures at the Vacuum Interface 

      Atilhan, Mert; Aparicio, Santiago ( American Chemical Society , 2016 , Article)
      The properties of solutions formed by dialkylcarbonate + 1-alkanol solutions are studied using classic molecular dynamics simulations. The effects of solution composition, temperature, and dialkylcarbonate type have been ...
    • Theoretical study on amino acid-based ionic pairs and their interaction with carbon nanostructures 

      Herrera, Cesar; Alcalde, Rafael; Atilhan, Mert; Aparicio, Santiago ( American Chemical Society , 2014 , Article)
      Quantum chemistry methods were used to analyze the properties of ionic pairs formed by combination of the 1-ethyl-3-methylimidazolium cation with anions derived from alanine, glycine, serine, and phenylalanine amino acids, ...