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. 2017 Mar 2;18(3):512. doi: 10.3390/ijms18030512

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© 2017 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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Optimized geometries of caffeoylshikimic acid isomers (CSA) and p-coumaroylshikimic acid isomers (p-CoSA) calculated at the B3LYP/6-31 + G(d,p) level, DFT/B3LYP relative energy along the scan of C–O distance.