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Fig. 4

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Energies (kcal/mol) of various isomers of cation [C-coronene]+ complexes, C25H12+$\mathrm{C}_{25}\mathrm{H}_{12}^{+}$, as computed at B3 LYP/6-311+G** + ZPVE (see Sect. 3.1). The four symmetry-unique bonds of parent coronene are labelled I-IV. Structure C1 results from the interaction of C+ with bond I. We note that an attack of bonds II and III by C+ results in identical structures C2 and C3.

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