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Fig. 2

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Simplified reaction scheme of the C(3Pj) + benzene system, as computed by Bettinger et al. (2000). The energies (kcal/mol) for spin-triplet (T) and spin-singlet (S) species were obtained at B3LYP/6–311+ZPVE(B3LYP/6-31G*) (normal print), while the energies of C7H5 radicals were computed at G2(B3LYP/MP2) (in italics).

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