Spectroscopic, quantum mechanical, electronic excitation properties (Ethanol solvent), DFT investigations and molecular docking analysis of an anti-cancer drug Bendamustine
P. Venkata Ramana, Tom Sundius, S. Muthu, K. Chandra Mouli, Y. Rama Krishna, K. Venkata Prasad, R. Niranjana Devi, Ahmad Irfan, C. Santhamma
Topics & Concepts
ChemistryNatural bond orbitalComputational chemistryMoleculeFukui functionHOMO/LUMODocking (animal)Delocalized electronDensity functional theoryPhysical chemistryOrganic chemistryElectrophileCatalysisMedicineNursingNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesSynthesis and biological activity