Rappe Rearrangement. Bicyclooxirane formation, cis, final opening retro 2+2, TS4, Def2-SVPP, OH...Br H bond G = -2880.026702, IRC, reverse phase (H-bond discontinuity)
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Gaussian 16 (C01) calculation
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2022-09-20

Gaussian 16 (C01) calculation