Table 1.

The calculated thermodynamic parameters (BDEs, PAs and IEs, in kcal mol⁻¹) and the ΔG^o of HOO^• + 7OGT reaction.

positions	FHT		PL		SET
	BDE	ΔGo	PA	ΔGo	IE	ΔG°
C2 − H	84.3	−2.3			178.8	156.4
C3 − H	99.0	12.5
C4 − H	86.2	0.3
O5 − H	85.3	−0.3	345.7	193.1
O12 − H	83.4	−2.2	353.6	200.6
O13 − H	77.1	−8.4	340.0	187.4
O3' − H	80.5	−5.0	341.7	189.1
O4' − H	73.9	−11.3	341.4	188.7