title: Topological Analysis of the Fukui Function.
abstract: In this work an alternative to the analysis of the Fukui function will be presented and compared with the traditional condensed function. The topological analysis allows us to define basins corresponding to different regions of the space, and the numerical integration of the density over those volumes gives a number amenable of a chemical interpretation in line with the Fukui function applications. Various examples are shown, a series of small molecules, a couple of clusters, and aromatic molecules. They are discussed in comparison with other methodologies and with the experimental evidence.
authors.affiliation: Departamento de Física, Universidad de Chile, Las Palmeras 3425, Santiago-Chile, Instituto de Química, Universidad de Antioquia, A.A. 1226, Medellín, Colombia, and Departamento de Ciencias Químicas, Facultad de Ecología y Recursos Naturales, Universidad Andres Bello, Av. República 275, Santiago-Chile.
authors.forename: Patricio
authors.initials: P
authors.lastname: Fuentealba
authors.affiliation: Departamento de Física, Universidad de Chile, Las Palmeras 3425, Santiago-Chile, Instituto de Química, Universidad de Antioquia, A.A. 1226, Medellín, Colombia, and Departamento de Ciencias Químicas, Facultad de Ecología y Recursos Naturales, Universidad Andres Bello, Av. República 275, Santiago-Chile.
authors.forename: Elizabeth
authors.initials: E
authors.lastname: Florez
authors.affiliation: Departamento de Física, Universidad de Chile, Las Palmeras 3425, Santiago-Chile, Instituto de Química, Universidad de Antioquia, A.A. 1226, Medellín, Colombia, and Departamento de Ciencias Químicas, Facultad de Ecología y Recursos Naturales, Universidad Andres Bello, Av. República 275, Santiago-Chile.
authors.forename: William
authors.initials: W
authors.lastname: Tiznado