Compound 10 appears slightly more active than 1 and 11 , in agreement with slightly lower BDE values (BDE of 82.0, 82.4, and 82.5 kcal.mol −1 for the three compounds, respectively); however, both from theoretical and experimental points of view these differences are almost insignificant.
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Lignin Modification Supported by DFT-Based Theoretical Study as a Way to Produce Competitive Natural Antioxidants.
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