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. 2020 Oct 27;25(21):4972. doi: 10.3390/molecules25214972

Figure 12.

Figure 12

Average intramolecular bond lengths, r(OH), for the cationic clusters [HO-(CH2)2-Py+]n (triangles), ([HO-(CH2)2-Py][BF4])n (c–c) (circles) and ([HO-(CH2)2-Py][BF4])n (c–a) (squares) calculated at the B3LYP-D3/6–31+G* level of theory.