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. 2018 Jun 26;6:205. doi: 10.3389/fchem.2018.00205

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Copyright © 2018 Planas, Sheng, McLeish and Himo.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Optimized structures of stationary points along the reaction pathway. For clarity, only a small portion of the model is shown. Distances are given in angstroms.