Publikationen, an denen er mitarbeitet PEDRO CARLOS GÓMEZ CALZADA (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

1999

  1. An experimental and computational study about the effect of a spirocyclopropane group on the solvolysis rates of bridgehead triflates

    Journal of Organic Chemistry, Vol. 64, Núm. 15, pp. 5611-5619