Exploring the antibacterial activity of 1, 2 diaminoethane hexanedionic acid by spectroscopic, electronic, ELF, LOL, RDG analysis and molecular docking studies using DFT method
C. Dabora Vincy, J.D. Deephlin Tarika, X.D. Divya Dexlin, A. Rathika, T. Joselin Beaula
Topics & Concepts
Natural bond orbitalChemistryHyperpolarizabilityComputational chemistryMoleculeDelocalized electronDensity functional theoryMolecular orbitalPotential energy surfaceCovalent bondPhysical chemistryOrganic chemistryPolarizabilityNonlinear Optical Materials ResearchSynthesis and Characterization of Heterocyclic CompoundsSynthesis and biological activity