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. 2015 Mar 24;10(3):e0121276. doi: 10.1371/journal.pone.0121276

Fig 1. Optimized structures of 7 compounds with orthodiphenolic functionalities calculated at the B3LYP/6-311++G(d,p) level in ethanol.

Fig 1

(left: a hydrogen bond is formed between the 4-O center and the meta OH. right: no hydrogen bond is formed between the 4-O center and the meta OH.)