Publicaciones en colaboración con investigadores/as de Universidad Autónoma de Madrid (9)

2010

  1. A COSMO-RS based guide to analyze/quantify the polarity of ionic liquids and their mixtures with organic cosolvents

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 8, pp. 1991-2000

  2. A quantum-chemical-based guide to analyze/quantify the cytotoxicity of ionic liquids

    Green Chemistry, Vol. 12, Núm. 1, pp. 123-134

2009

  1. Development of an a priori ionic liquid design tool. 2. Ionic liquid selection through the prediction of COSMO-RS molecular descriptor by inverse neural network

    Industrial and Engineering Chemistry Research, Vol. 48, Núm. 4, pp. 2257-2265

  2. Effect of cationic and anionic chain lengths on volumetric, transport, and surface properties of l-Alkyl-3-methylimidazolium alkylsulfate ionic liquids at (298.15 and 313.15) K

    Journal of Chemical and Engineering Data, Vol. 54, Núm. 4, pp. 1297-1301

2008

  1. Application of Neural Networks to determine the concentrations of 1-ethyl-3-methylimidazolium ethylsulfate ionic liquid and toluene in aqueous solutions

    CHISA 2008 - 18th International Congress of Chemical and Process Engineering

  2. Development of an a priori ionic liquid design tool. 1. Integration of a novel COSMO-RS molecular descriptor on neural networks

    Industrial and Engineering Chemistry Research, Vol. 47, Núm. 13, pp. 4523-4532

  3. Modelling of carbon dioxide solubility in ionic liquids at sub and supercritical conditions by neural networks and mathematical regressions

    Chemometrics and Intelligent Laboratory Systems, Vol. 93, Núm. 2, pp. 149-159

  4. Prediction of non-ideal behavior of polarity/polarizability scales of solvent mixtures by integration of a novel COSMO-RS molecular descriptor and neural networks

    Physical Chemistry Chemical Physics, Vol. 10, Núm. 39, pp. 5967-5975

2007

  1. Density and molar volume predictions using COSMO-RS for ionic liquids. An approach to solvent design

    Industrial and Engineering Chemistry Research, Vol. 46, Núm. 18, pp. 6041-6048