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Upper panel: Potential energy surfaces and snapshot structures of an example trajectory that forms cyclopropane 8 from DMHT via [1,6]-sigmatropic hydrogen shift. Total simulation times of the snapshot structures are0fs (A), 70fs (B), 120fs (C), and 287fs (D). Lower panel: Time evolution of the distance between C1 and hydrogen, C7 and hydrogen, and C7 and C4.
