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. 2020 Sep 4;5(37):24106–24110. doi: 10.1021/acsomega.0c03646

Table 1. Calculated BDEs and ΔGo Values (in kcal/mol) of the Reactions of MA with HOO Following the FHT Mechanism in the Gas Phase.

position BDE ΔGo
C3 77.2 –8.3
C6 86.0 0.6
C7 93.4 7.8
C8 89.3 4.3
C9 101.4 15.7
N4 111.2 25.4
O11 84.8 –0.8