@ARTICLE{Faza20134277,
author={Faza, O.N. and Fernández, I. and López, C.S.},
title={Computational insights on the mechanism of the catalytic hydrogenation with BINAP-diamine-Ru complexes: The role of base and origin of selectivity},
journal={Chemical Communications},
year={2013},
volume={49},
number={39},
pages={4277-4279},
doi={10.1039/c2cc37165k},
abstract={In this work we show that a base is needed to generate the active catalyst through any of three different paths close in energy. The facial differentiation arises from steric interactions that induce a very asynchronous, non-pericyclic disfavored transition state. Catalyst regeneration takes place through two steps that avoid a forbidden pericyclic mechanism. © 2013 The Royal Society of Chemistry.},
}

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