Rationalizing the activity of an "artificial diels-alderase": establishing efficient and accurate protocols for calculating supramolecular catalysis

Self-assembled cages have emerged as novel platforms to explore bio-inspired catalysis. While many different size and shape supramolecular structures are now readily accessible, only a few are known to accelerate chemical reactions under sub-stoichiometric conditions. These limited examples point to...

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Những tác giả chính: Young, TA, Martí-Centelles, V, Wang, J, Lusby, P, Duarte, F
Định dạng: Journal article
Ngôn ngữ:English
Được phát hành: American Chemical Society 2019