Molecular structure, spectroscopic, Fukui function, RDG, anti-microbial and molecular docking analysis of higher concentration star anise content compound methyl 4-methoxybenzoate-DFT study
M. Latha Beatrice, S. Mary Delphine, M. Amalanathan, M. Sony Michael Mary, H. Marshan Robert, K. Thibi Mol
Topics & Concepts
ChemistryNatural bond orbitalMoleculeIntramolecular forceHOMO/LUMOFukui functionComputational chemistryMolecular orbitalDocking (animal)Density functional theoryElectrophileCrystallographyStereochemistryOrganic chemistryCatalysisNursingMedicineNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesInorganic and Organometallic Chemistry