Molecular structure and quantum descriptors of cefradine by using vibrational spectroscopy (IR and Raman), NBO, AIM, chemical reactivity and molecular docking
Manoj Kumar Chaudhary, T. Karthick, Bhawani Datt Joshi, Preeti Prajapati, M. Silmara Alves De Santana, Alejandro Pedro Ayala, V.S. Jeba Reeda, Poonam Tandon
Topics & Concepts
Natural bond orbitalConformational isomerismChemistryIntramolecular forcePotential energy surfaceComputational chemistryMoleculeHydrogen bondElectrophileAtoms in moleculesIntermolecular forceHOMO/LUMODocking (animal)Dihedral angleChemical physicsDensity functional theoryStereochemistryOrganic chemistryNursingCatalysisMedicineNonlinear Optical Materials ResearchStructural and Chemical Analysis of Organic and Inorganic CompoundsPhenothiazines and Benzothiazines Synthesis and Activities