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:
DFT
AIM
NBO
Online Access:http://www.mdpi.com/1422-0067/11/5/2017/