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. 2018 Sep 25;23(10):2446. doi: 10.3390/molecules23102446

Table 3.

Gibbs free energy values for radical adduct formations between Vam3 and ·OOH free radical at 298.15 K.

ΔG (kcal/mol) ΔG (kcal/mol)
Species ε = 4.0 ε = 80.0 Species ε = 4.0 ε = 80.0
RAF_1a 31.9 37.5 RAF_8b 10.1 −11.3
RAF_2a 20.8 26.4 RAF_7b 6.4 −14.7
RAF_3a 23.8 50.1 RAF_1b 30.8 10.4
RAF_4a 18.2 24.1 RAF_2b 20.6 −1.4
RAF_5a 24.6 30.4 RAF_3b 24.4 1.8
RAF_6a 22.2 3.1 RAF_4b 16.2 −4.3
RAF_7a 14.5 −5.8 RAF_5b 24.9 10.4
RAF_8a 17.8 44.5 RAF_6b 20.7 1.5
RAF_14b 33.8 61.1 RAF_9a 36.6 14.8
RAF_13b 25.3 2.9 RAF_10a 23.1 2.2
RAF_12b 15.1 −7.7 RAF_11a −5.2 55.4
RAF_11b 19.9 −1.8 RAF_12a 21.6 4.4
RAF_10b 18.0 −0.3 RAF_13a 24.9 4.5
RAF_9b 23.5 2.5 RAF_14a 23.4 1.6