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. 2011 Sep 16;115(42):12234–12246. doi: 10.1021/jp206347u

Table 6. Relative Energies (Including ZPE) and Gibbs Free Energies at 298 K, in kcal mol–1, in the Phenolic H-Abstractions by •OOH Radicals, in Water.

path ΔE1 ΔE‡ ΔE ΔG1 ΔG‡ ΔG
solvent = water
C3 –1.94 7.41 –5.48 5.12 16.16 –7.28
C4 –2.05 6.95 –5.98 5.42 15.17 –8.23