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. 2019 Nov 27;7:818. doi: 10.3389/fchem.2019.00818

Table 2.

Gibbs free energies of reaction for the hydrogen atom transfer reaction of HOO. with Q, Fl, and Bf at the phenolic positions.

System OH position ΔG (kcal·mol−1)
Q 3 −4.2
5 7.9
7 7.5
3′ −1.0
4′ −4.5
Fl 2 19.6
5 22.2
7 18.6
3′ −1.0
4′ −2.3
Bf 3 26.8
5 24.4
7 24.2
3′ −0.3
4′ 2.6