Crystal structure, Hirshfeld surface and DFT based NBO, NLO, ECT and MEP of benzothiazole based hydrazone
Kiran Singh, Indu Bala, Ramesh Kataria
Topics & Concepts
Natural bond orbitalChemistryBenzothiazoleFukui functionDensity functional theoryMoleculeHydrazoneElectrophileComputational chemistryIntermolecular forceReactivity (psychology)Atoms in moleculesCrystallographyStereochemistryOrganic chemistryAlternative medicinePathologyCatalysisMedicineNonlinear Optical Materials ResearchSynthesis and biological activityOrganic Chemistry Cycloaddition Reactions