Spectroscopic (FT-IR, FT-Raman and UV-Vis), computational (ELF, LOL, NBO, HOMO-LUMO, Fukui, MEP) studies and molecular docking on benzodiazepine derivatives- heterocyclic organic arenes
S. Sevvanthi, S. Muthu, S. Aayisha, P. Ramesh, M. Raja
Topics & Concepts
Natural bond orbitalHOMO/LUMOChemistryDelocalized electronMoleculeComputational chemistryPhotochemistryPhysical chemistryDensity functional theoryOrganic chemistryNonlinear Optical Materials ResearchMolecular spectroscopy and chiralityFree Radicals and Antioxidants