A DFT‐based study of the hydrogen‐bonding interactions between epicatechin and methanol/water

Tea polyphenols are essential components that give tea its medicinal properties. Methanol and water are frequently used as solvents in the extraction of polyphenols. Hydrogen‐bonding interactions are significant in the extraction reaction. Density functional theory (DFT) techniques were used to cond...

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Veröffentlicht in:	Journal of the Chinese Chemical Society (Taipei) 2023-01, Vol.70 (1), p.16-23
Hauptverfasser:	Liu, Qifan, Xiao, Kelaiti, Abulimiti, Bumaliya, Xiang, Mei, Wang, Danqi, An, Han, Zheng, Jingyan
Format:	Artikel
Sprache:	eng
Schlagworte:	Benzene Bonding strength Density functional theory DFT epicatechin Hydrogen atoms hydrogen bond Hydrogen bonding Hydrogen bonds Hydroxyl groups Methanol Oxygen atoms Polyphenols Structural stability Vibration
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