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Computed reaction coordinate of the syn-trans;endo path for the reaction syn-MVK-oxide with SO2 at the CCSD(T)/CBS//B2PLYP-D3/cc-pVTZ level with estimated T(A) corrections (SI Appendix). The reaction proceeds through a prereactive complex (PRC) that forms secondary ozonides (SOZ and SOZ′) via submerged barriers (TS1 and TS2). The SOZ subsequently decomposes in an exothermic reaction via TS3 to MVK + SO3 products.
