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. 2019 Dec 18;9(72):42020–42028. doi: 10.1039/c9ra08381b

The calculated ΔG (kcal mol−1), tunneling corrections (κ) and k (M−1 s−1) at 298.15 K in the gas phase.

Reactions ΔG κ k Eck
4–O41–H + CH3OO˙ 14.5 571.4 8.10 × 104
5–O41–H + CH3OO˙ 10.9 48.8 3.36 × 106
11–O41–H + CH3OO˙ 10.8 47.1 3.61 × 106
Trolox + CH3OO˙ 10.9 63.4 4.11 × 106