Table 2.

Gibbs free energies values (ΔG) for all reactions between Vam3 most stable derived species with ·OOH free radical target involved in HAT, SET-PT and SPLET mechanisms.

	ΔG (kcal/mol)
	4a		11a		13a		11b		4b
	ε = 4.0	ε = 80.0	ε = 4.0	ε = 80.0	ε = 4.0	ε = 80.0	ε = 4.0	ε = 80.0	ε = 4.0	ε = 80.0
HAT	−6.7	−23.8	−0.3	−16.8	−0.0	−16.6	−7.4	−24.3	−7.2	−24.5
SPLET
1° Step	60.1	18.4	52.4	13.0	54.2	14.7	52.9	11.6	54.0	11.2
2° Step	−66.8	−42.2	−52.7	−29.7	−54.2	−31.3	−59.3	−35.9	−61.1	−35.7
ΔΔG (kcal/mol)	−6.7	−23.8	−0.3	−16.7	−0.0	−16.6	−7.4	−24.3	−7.2	−24.5
SET-PT
1° Step	44.4	4.6	44.4	4.6	44.4	4.6	44.4	4.6	44.4	4.6
2° Step	−51.1	−28.4	−44.7	−21.4	−44.5	−21.2	−51.8	−28.9	−51.6	−29.1
ΔΔG (kcal/mol)	−6.7	−23.8	−0.3	−16.8	−0.0	−16.6	−7.4	−24.3	−7.2	−24.5