Vol. 3, Issue 4 (2019)
Study of Reactivity Descriptors of Cinnoline, Quinoxaline and Quinazoline with the help of density functional theory
Author(s): MB Kalhans
Abstract: DFT has been used as an important quantum mechanical tool for calculating ground state properties of interaction of many electron system. Fukui function, density distribution function and softness parameters of atom for the compounds Cinnoline, Quinoxaline and Quinazoline are calculated with the help of DFT which provided a valuable information about the activity of the compounds.