A generalized operational formula based on total electronic densities to obtain 3D pictures of the dual descriptor to reveal nucleophilic and electrophilic sites accurately on closed-shell molecules. - Jorge I. Martínez-Araya (J. Comput. Chem., 2016)

The density polarization reveals directions of electron displacements due to the substituent effect: Analysis performed on a metal-organic Mo-Oxo catalyst. - Jorge I. Martínez-Araya; Christophe Morell (J. Comput. Chem., 2021)

Analysis in silico of chemical reactivity employing the local hyper-softness in some classic aromatic compounds, boron aromatic clusters and all-metal aromatic clusters. - Jorge I. Martínez-Araya; Rafael Islas (J. Comput. Chem., 2022)