Lugar de publicación

• DFT benchmark study of the O-O bond dissociation energy in peroxides validated with high-level ab initio calculations.  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.  137(9):1-11. 2018
• Insights on the structural and electronic properties of ScCn+, YCn+, LaCn+ (n=3-6) systems.  135(9):1-10. 2016
• Studying the binding mechanisms of veratryl alcohol to P. chrysosporium lignin peroxidase: insights from theoretical approaches.  135(3). 2016
• Symmetry-adapted reaction electronic flux in cycloaddition reactions.  135(8). 2016
• The local response of global descriptors.  136(1):1-9. 2016