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. 2022 Feb 2;27(3):1029. doi: 10.3390/molecules27031029

Figure 9.

Figure 9

Contour line diagram of the Laplacian of electron density distribution ∇2ρ(r), bond paths, and selected zero-flux surfaces (left panel), and visualization of electron localization function (ELF, center panel) and reduced density gradient (RDG, right panel) analyses for non-covalent interactions H6···Cl30 and Se1···Cl30 in the model supramolecular associate 4. Bond critical points (3, −1) are shown in blue, nuclear critical points (3, −3) in pale brown, ring critical points in orange. Bond paths are shown as pale brown lines, length units are in Å, and the color scale for the ELF and RDG maps is presented in a.u. The numeration of atoms corresponds to their ordering in the attached xyz-files for model supramolecular associates (Supplementary Materials).