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Figure 5 FeHmal molecular graphs (xdprop module) for (a) the asymmetric unit of MM1 and (b) the molecular unit of HAR1. (a) Blue dots are (3, +3) critical points, red dots (3, −1) critical points and yellow dots (3, +1) critical points, HAR1. (b) Purple dots are (3, +3) critical points, orange dots are (3, −1) critical points and yellow dots are (3, +1) critical points. The molecular graph generated for the HAR1 model presents the entire molecule since the calculations done in the HAR procedure consider the entire unit cell. |