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Accelerated Entropic Path Sampling Elucidates Entropic Effects in Mediating the Ambimodal Selectivity of NgnD-Catalyzed Diels–Alder Reaction

Authors

Shin Wook , Ran Xinchun , Wang Xin , Yang Zhongyue (John) .
J. Phys. Chem. B. 2023 ; 127(19).
4254–4260

Abstract