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Fig. 9

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Calculated barriers for spontaneous scission of fully hydrogenated toluene (red) into C6H11 and CH3. Scission of fully hydrogenated toluene into CH3 and cyclohexane given the incidence of hydrogen onto the alpha carbon (green; see Fig. 7(ii)). Scission of fully hydrogenated toluene into C6H11 and CH4 given the incidence of atomic hydrogen upon the methyl group (orange; see Fig. 7(i)). The energies for these products and the corresponding transition states are labelled relative to methylcyclohexane.

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