Publicaciones en colaboración con investigadores/as de University of Ulm (4)

2023

  1. Easy and accurate computation of energy barriers for carbocation solvation: an expeditious tool to face carbocation chemistry

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 45, pp. 31012-31019

2022

  1. Structural proton transfer rates in pure water according to Marcus theory and TD-DFT computations

    Journal of Molecular Liquids, Vol. 357

2021

  1. Revealing the mechanism of the water autoprotolysis on the basis of Marcus theory and TD-DFT methodology

    Journal of Molecular Liquids, Vol. 324

2016

  1. About the Existence of Organic Oxonium Ions as Mechanistic Intermediates in Water Solution

    Journal of Physical Chemistry A, Vol. 120, Núm. 36, pp. 7045-7050