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. 2017 Oct 20;50(Pt 6):1627–1636. doi: 10.1107/S1600576717013802

Table 1. Definitions of integral quantities of the ESP, integrated over isosurfaces of the electron density according to Politzer et al. (2001).

Symbol Description
Inline graphic Percentage of surface area with positive ESP
Inline graphic Percentage of surface area with negative ESP
Inline graphic Average ESP, averaged over positive regions of the ESP
Inline graphic Average ESP, averaged over negative regions of the ESP
Inline graphic Average ESP, averaged over the entire surface
Inline graphic Minimum value of the ESP on the surface
Inline graphic Maximum value of the ESP on the surface
Inline graphic Difference between maximum and minimum values of the ESP on the surface
Π Average deviation of the ESP from its average value Inline graphic
Inline graphic Variance of the ESP over its positive regions
Inline graphic Variance of the ESP over its negative regions
Inline graphic Sum of positive and negative variances of the ESP
ν Degree of the electrostatic balance derived from the variances of the ESP