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Correlation between experimental rate constants and FMO orbital energy gaps. Room temperature rate constants for various CH2OO + organic carbonyl reactions were compiled from various sources (see text), while |ΔES| values were calculated at the B3LYP/cc-pVDZ level. Linear fits are shown for ketones only (red) and for ketones + aldehydes (blue). The shaded areas represent 1σ prediction bands.
