Abstract
Flavones are naturally occurring polyphenolic compounds known as nontoxic anti oxidants which mainly come from higher plants including seaweeds. These compounds possess a range of physiological properties and extensive literary information is available, but fewer theoretical insights of these compounds have been explored. In this paper, semi empirical Austin Model 1 (AM1) calculations has been reported for a flavone: “5,6,7-trihydroxy-4'-methoxy flavone” to predict the electronic structure and certain properties e.g. geometry optimization, total energy, dipole moments, and heat of formation etc.
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Copyright (c) 2010 Tehseen Ahmed, Zahid Khan, M. Asad Khan Tanoli