Computational Insights On Charge Transfer and Non-covalent Interactions of Antibacterial Compound 4-dimethylaminopyridinium pyridine-2-carboxylate pentahydrate
J.D. Deephlin Tarika, X.D. Divya Dexlin, Amit Kumar, A. Rathika, D. Deva Jayanthi, T. Joselin Beaula
Topics & Concepts
ChemistryMoleculeComputational chemistryCarboxylateNatural bond orbitalMolecular orbitalElectrophilePyridineCovalent bondDensity functional theoryCrystallographyStereochemistryOrganic chemistryCatalysisNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesBioactive Compounds and Antitumor Agents