Quantum similarity study of atomic density functions: Insights from information theory and the role of relativistic effectsBorgoo, A.; Godefroid, M.; Indelicato, P.; De Proft, F.; Geerlings, P. · The Journal of Chemical Physics · 2007

Topological Model on the Inductive Effect in Alkyl Halides Using Local Quantum Similarity and Reactivity Descriptors in the Density Functional TheoryMorales-Bayuelo, Alejandro; Vivas-Reyes, Ricardo · Journal of Quantum Chemistry · 2014

Topological model to quantify the global reactivity indexes as local in Diels–Alder reactions, using density function theory (DFT) and local quantum similarity (LQS)Morales-Bayuelo, Alejandro; Vivas-Reyes, Ricardo · Journal of Mathematical Chemistry · 2013

Theoretical study of the chemical reactivity and molecular quantum similarity in a series of derivatives of 2-adamantyl-thiazolidine-4-one using density functional theory and the topo-geometrical superposition approachAlejandro Morales-Bayuelo; Rosa Baldiris; Juan Torres; Juan E. Torres; Ricardo Vivas-Reyes · 2012