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. 2023 Jun 1;11:1172687. doi: 10.3389/fchem.2023.1172687

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Copyright © 2023 Xavier, Payne, Bauerfeldt and Sacchi.

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(s) 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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Schematic of geometries and their respective labels adopted in this work for the initial states (IS) and final states (FS) of the four steps of the CMD steps on 12-ZGNR and 12-AGNR. S1, S2, S3 and S4 stand for steps 1-4 of the CMD process.