Publikationen in Zusammenarbeit mit Forschern von Instituto Politécnico Nacional (6)

2023

  1. 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

2018

  1. Computational study of substituent effects on the acidity, toxicity and chemical reactivity of bacteriostatic sulfonamides

    Journal of Molecular Graphics and Modelling, Vol. 81, pp. 116-124

  2. Polymorphism, Intermolecular Interactions, and Spectroscopic Properties in Crystal Structures of Sulfonamides

    Journal of Pharmaceutical Sciences, Vol. 107, Núm. 1, pp. 273-285

2017

  1. Adsorption of Sulfonamides on Phyllosilicate Surfaces by Molecular Modeling Calculations

    Journal of Physical Chemistry C, Vol. 121, Núm. 5, pp. 2905-2914

2013

  1. Crystal structure, stability and spectroscopic properties of methane and CO2 hydrates

    Journal of Molecular Graphics and Modelling, Vol. 44, pp. 253-265