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Published in 2022 at "Chemical Science"
DOI: 10.1039/d2sc02274e
Abstract: We elucidate the stereo-controlling factors of the asymmetric intramolecular hydroalkoxylation of terminal olefins catalyzed by bulky Brønsted acids [Science2018, 359 (6383), 1501–1505] using high-level electronic structure methods. The catalyst–substrate interaction is described using a dispersion-driven…
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Keywords:
induced fit;
dispersion;
model;
model asymmetric ... See more keywords