Browsing by Author "45b6a60c-ce1b-41ff-9c52-d730361b67b5"

Now showing items 1-2 of 2

    • Electron localization in intramolecular proton transfer 
      Maulén Jara, Boris Eduardo (Universidad de Chile, 2019)
      The electron localization function (ELF) is a scalar field that accounts of the excess of electronic kinetic energy due to Pauli repulsion between electrons with the same spin. With this function, it is possible to divide ...
    • Meisenheimer complexes as hidden intermediates in the aza-SNAr mechanism 
      Ormazábal-Toledo, Rodrigo; Richter, Sebastián; Robles Navarro, Andrés; Maulén Jara, Boris; Matute, Ricardo A.; Gallardo Fuentes, Sebastián (Royal Society of Chemistry, 2020)
      In this work we report a computational study about the aza-SNAr mechanism in fluorine- and chlorine-containing azines with the aim to unravel the physical factors that determine the reactivity patterns in these heterocycles ...