Journal of molecular graphics & modelling
Quantum chemical investigations of electronic properties, chemical reactivity, FTIR, thermodynamic behaviors and biological activity for some novel quercetin derivatives.
Noha A Saleh, Bushra M D Mansoor, A Alkhaldi, Munirah A Almessiere
Published: 202610.1016/j.jmgm.2026.109298
Abstract
Quercetin is a crucial natural bioactive substance present in many plants offering numerous health benefits. This computational study uses DFT calculations at the B3LYP/6-31G∗∗ level to computationally investigate novel quercetin derivatives modified…
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