Influence of Hydroxyl Functional Group on the Structure and Stability of Xanthone: A Computational Approach

Influence of Hydroxyl Functional Group on the Structure and Stability of Xanthone: A Computational Approach

The present work addresses computational research focused on the energetic and structural properties of four isomers monohydroxyxanthone, using the G3(MP2)//B3LYP method, in order to evaluate the influence of the hydroxyl (—OH moiety) functional group on the xanthone molecule. The combinat...

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Bibliographic Details
Main Authors:	Vera L. S. Freitas, Maria D. M. C. Ribeiro da Silva
Format:	Article
Language:	English
Published:	MDPI AG 2018-11-01
Series:	Molecules
Subjects:	thermodynamic properties gas-phase enthalpy of formation tautomers conformers intramolecular hydrogen bond monooxygenated xanthones
Online Access:	https://www.mdpi.com/1420-3049/23/11/2962

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