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. Author manuscript; available in PMC: 2016 Mar 5.
Published in final edited form as: J Comput Chem. 2014 Dec 19;36(6):408–422. doi: 10.1002/jcc.23816

Figure 8.

Figure 8

Comparison between the heat of formation energies computed using a quantum theory56 (left chart) and average accumulated bar length (right chart) for fullerenes. The units for the heat of formation energy and average accumulated bar length are eV/atom and Å/atom, respectively Although the profile of average accumulated bar length of fullerenes does not perfectly match the fullerene energy profile, they bear a close resemblance in their basic characteristics.