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