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70249135717
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note
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It is estimated that the approximation of choice of one TS for the rate-determining step underestimates the rate constants of the forward and reverse isomerization between 2a and 3a by a factor of two. However, this does not affect the results of the present kinetic analysis
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37
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70249130970
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note
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Even though the energy differences are close to the uncertainty of the present calculations, the presence of the reverse barriers, meaning tighter TSs, makes these channels still less important than the direct H{radical dot} loss from 4a
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