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. 2015 Sep 23;15:332. doi: 10.1186/s12906-015-0858-2

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© Andrade-Ochoa et al. 2015

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Fig. 4 — Molecular systems optimized calculated by DFT B3LYP/6-311G** level at theory and mapping of the frontier orbitals. a p-cymene b Menthol c Carvacrol d Thymol