Geometric Fukui function

In this section we present some representative examples to show how the topological analysis of the Fukui function works. Accordingly with the literature [44, 46, 47] the results are commonly reported in two ways the first involves a 3D-representation of/(r) where one isosurface is selected to plot in a way that can represent aU the Fukui basins. Accompanying these isosurfaces are the values of the Fukui function condensed in the corresponding basins. The second way makes it simple to compare with other methods used to condense the Fukui function, due to the fact that all atomic contributions are reported as a single value over each atom k. The geometrical optimization and electronic stmcture calculation have been... 

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