ListarReactividade Química e Fotorreactividade (REACT!) por tema "Reduction potential"

Mostrando ítems 1-2 de 2

    • Common Reactivity and Properties of Heme Peroxidases: A DFT Study of Their Origin 

      Ramos, Daniel R.; Furtmüller, Paul G.; Obinger, Christian; Peña-Gallego, Ángeles; Pérez-Juste, Ignacio; Santaballa, J. Arturo (MDPI, 2023-01-28)
      [Abstract] Electronic structure calculations using the density-functional theory (DFT) have been performed to analyse the effect of water molecules and protonation on the heme group of peroxidases in different redox (ferric, ...

    • Differential Features of Short-Lived Intermediates: Structure, Properties and Reactivity 

      Canle, Moisés; Fernández-Pérez, María-Isabel; Santaballa, J. Arturo (Elsevier, 2020-10-22)
      [Abstract] Some general features of short-lived intermediates that can be useful when facing mechanistic studies or other projects involving these species are briefly revised, with special attention to properties of neutral ...