Publicaciones en colaboración con investigadores/as de Universidad Autónoma Metropolitana (10)

2023

  1. Adsorption of Capsaicin into the Nanoconfined Interlayer Space of Montmorillonite by DFT Calculations

    Journal of Pharmaceutical Sciences, Vol. 112, Núm. 3, pp. 798-807

  2. Intercalation of sulfonamides in montmorillonite by molecular dynamics and DFT calculations for bioavailability control

    Journal of Molecular Structure, Vol. 1291

2022

  1. Crystal polymorphism and spectroscopical properties of sulfonamides in solid state by means of First Principles calculations

    Journal of Computer-Aided Molecular Design, Vol. 36, Núm. 7, pp. 549-562

  2. Effects of the cation ordering in Mg:Al and Zn:Al layered double hydroxides on crystallographic and spectroscopical properties by means of first principles calculations

    Applied Clay Science, Vol. 223

2015

  1. Hydroxyl radical initiated oxidation of formic acid on mineral aerosols surface: A mechanistic, kinetic and spectroscopic study

    Environmental Chemistry, Vol. 12, Núm. 2, pp. 236-244

2014

  1. Indigo adsorption on a silicate surface: A theoretical density functional study

    Journal of Molecular Modeling, Vol. 20, Núm. 7

2012

  1. Interaction energies and spectroscopic effects in the adsorption of formic acid on mineral aerosol surface models

    Journal of Physical Chemistry C, Vol. 116, Núm. 4, pp. 2904-2914

2010

  1. On the OH initiated oxidation of C2-C5 aliphatic aldehydes in the presence of mineral aerosols

    Geochimica et Cosmochimica Acta, Vol. 74, Núm. 12, pp. 3587-3597

2009

  1. Molecular structure and spectroscopic properties of polyaromatic heterocycles by first principle calculations: Spectroscopic shifts with the adsorption of thiophene on phyllosilicate surface

    Theoretical Chemistry Accounts, Vol. 125, Núm. 1, pp. 83-95

2008

  1. Quantum chemistry and computational kinetics of the reaction between OH radicals and formaldehyde adsorbed on small silica aerosol models

    Journal of Physical Chemistry C, Vol. 112, Núm. 12, pp. 4590-4600