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Rapid enantioselective catalyst optimization

Nature Catalysis volume 2, pages 8–9 (2019)Cite this article

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Optimization of catalytic stereoselectivity for new substrates often requires a time consuming experimental process, and high-accuracy molecular modelling remains intractable for comprehensive virtual screening. Now, highly enantioselective rhodium hydrogenation catalysts have been identified using a rapid computational transition-state analysis protocol and then experimentally verified.

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Fig. 1: Enantioseletive hydrogenation.

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  1. Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT, United States

    Daniel H. Ess

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  1. Daniel H. Ess
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Correspondence to Daniel H. Ess.

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Ess, D.H. Rapid enantioselective catalyst optimization. Nat Catal 2, 8–9 (2019). https://doi.org/10.1038/s41929-018-0216-0

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