publicaciones seleccionadas artículo académico DFT benchmark study of the O-O bond dissociation energy in peroxides validated with high-level ab initio calculations. THEORETICAL CHEMISTRY ACCOUNTS. 139(7). 2020 A systematic electronic structure study of the O-O bond dissociation energy of hydrogen peroxide and the electron affinity of the hydroxyl radical. THEORETICAL CHEMISTRY ACCOUNTS. 137(9):1-11. 2018