Mechanistic analysis of the base-catalyzed HF elimination from 4-fluoro-4-(4′-nitrophenyl)butane-2-one based on liquid-phase kinetic isotope effects calculated by dynamics modeling with multidimensional tunneling
Yongho Kim, Aleksandr V. Marenich, Jingjing Zheng, Kyung Hyun Kim, Magdalena Kołodziejska-Huben, Michał Rostkowski, Piotr Paneth, Donald G. Truhlar
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