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. 2021 Aug 11;143(33):13281–13291. doi: 10.1021/jacs.1c06125

Figure 3.

Figure 3

Minimum-energy structures (with their relative energies indicated) calculated at the GFN2-xTB level for the most stable pentamers 1A5 (a) and 1B5 (b) in the self-assembly of 1.