Automated Quantum Mechanical Predictions of Enantioselectivity in a Rhodium-Catalyzed Asymmetric Hydrogenation. Guan, Y. & Wheeler, S. E Angewandte Chemie, International Edition, 56(31):9101–9105, July, 2017. Paper doi bibtex @article{guan_automated_2017,
title = {Automated {Quantum} {Mechanical} {Predictions} of {Enantioselectivity} in a {Rhodium}-{Catalyzed} {Asymmetric} {Hydrogenation}},
volume = {56},
issn = {14337851},
url = {http://dx.doi.org/10.1002/ange.201704663},
doi = {10.1002/anie.201704663},
number = {31},
journal = {Angewandte Chemie, International Edition},
author = {Guan, Yanfei and Wheeler, Steven E},
month = jul,
year = {2017},
keywords = {Asymmetrische Katalyse, Computerchemie, Dichtefunktionalrechnungen, Enantioselektivität, Ligandenentwicklung, automation, catalysis, computational, transition metals},
pages = {9101--9105},
}
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