All Stories

  1. Atomic decomposition of conceptual DFT descriptors: application to proton transfer reactions

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Barbara Herrera

  2. Using the reaction force and the reaction electronic flux on the proton transfer of formamide derived systems

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Barbara Herrera