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. 2018 Sep 25;23(10):2446. doi: 10.3390/molecules23102446

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© 2018 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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B3LYP/6-311++G** optimized structures of transition states intercepted studying HAT mechanism from Vam3 to ·OOH free radical. Imaginary frequencies (cm⁻¹) and most significant geometrical parameters (Å) are also reported.

B3LYP/6-311++G** optimized structures of transition states intercepted studying HAT mechanism from Vam3 to ·OOH free radical. Imaginary frequencies (cm⁻¹) and most significant geometrical parameters (Å) are also reported.