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. 2019 Apr 8;10(9):2051–2057. doi: 10.1021/acs.jpclett.9b00405

Figure 4.

Figure 4

MESMER-simulated R′OOOR decomposition rate coefficients via the different possible product channels for the studied systems calculated at 298 K temperature and 1 atm pressure. R1: R′OOOR → R′O2 + RO; R2: R′OOOR → R–H′•OO + ROH; R3: R′OOOR → R′OOH + R=O.