Publicacións (108) Publicacións de SAULO ANGEL VAZQUEZ RODRIGUEZ


  1. Electrostatic penetration effects stand at the heart of aromatic π interactions

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 15, pp. 8979-8991

  2. The PM6-FGC Method: Improved Corrections for Amines and Amides

    Molecules, Vol. 27, Núm. 5


  1. AutoMeKin2021: An open-source program for automated reaction discovery

    Journal of Computational Chemistry, Vol. 42, Núm. 28, pp. 2036-2048

  2. New Approach for Correcting Noncovalent Interactions in Semiempirical Quantum Mechanical Methods: The Importance of Multiple-Orientation Sampling

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 9, pp. 5556-5567

  3. Vibrational Energy Relaxation of Deuterium Fluoride in d-Dichloromethane: Insights from Different Potentials

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 3, pp. 1277-1289


  1. The relative position of π-π interacting rings notably changes the nature of the substituent effect

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 21, pp. 12068-12081


  1. Direct and indirect hydrogen abstraction in Cl + alkene reactions

    Journal of Physical Chemistry A, Vol. 118, Núm. 30, pp. 5595-5607

  2. Intermolecular potential for binding of protonated peptide ions with perfluorinated hydrocarbon surfaces

    Journal of Physical Chemistry B, Vol. 118, Núm. 20, pp. 5577-5588