A Systematic Computational Study on Flavonoids

A Systematic Computational Study on Flavonoids

17 selected flavones derivatives, flavonoids, were analyzed through a systematic B3LYP∕6-311++G** computational study with the aim of understanding the molecular factors that determine their structural and energetic properties in gas phase. Flavonoids were selected in a systematic way to infer the e...

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Bibliographic Details
Main Author:	Santiago Aparicio
Format:	Article
Language:	English
Published:	MDPI AG 2010-05-01
Series:	International Journal of Molecular Sciences
Subjects:	flavonoids DFT hydrogen bonding AIM NBO
Online Access:	http://www.mdpi.com/1422-0067/11/5/2017/

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