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. 2024 Aug 24;29(17):4013. doi: 10.3390/molecules29174013

Figure 6.

Figure 6

Correlation between the Kekulé and Clar bond orders and corresponding DFTB bond lengths for all isomers of the C20–C70 fullerenes. The linear fits are 1.50960.2016x and 1.57080.3851x for the Clar and Kekulé models, respectively. For clarity, the graph displays data for only 1% of the total number of 2,978,872 bonds (chosen randomly). The fits have been performed on the complete sets.