Electronic structure and relative stability of 1: 1 Cu-O2 adducts from difference-dedicated configuration interaction calculations. - Jhon Zapata-Rivera; Rosa Caballol; Carmen Jiménez Calzado (J. Comput. Chem., 2011)

The role of macrocyclic ligands in the peroxo/superoxo nature of Ni-O2 biomimetic complexes. - Jhon Zapata-Rivera; Rosa Caballol; Carmen Jiménez Calzado (J. Comput. Chem., 2012)