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. 2019 Nov 26;59(1):471–478. doi: 10.1002/anie.201912334

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© 2019 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc-nd/4.0/ License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non‐commercial and no modifications or adaptations are made.

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Free energy profile for competition between two pathways C and D. The NPA charges for intermediate ix are given in pink. Gibbs free energies (potential energies) are in kcal mol⁻¹.