Synthesis and comprehensive spectroscopic (X-ray, NMR, FTIR, UV–Vis), quantum chemical and molecular docking investigation of 3-acetyl-4‑hydroxy‑2-oxo-2H-chromen-7-yl acetate
Žiko Milanović, Dušan Dimić, Edina Avdović, Dejan Milenković, Jasmina M. Dimitrić Marković, Olivera R. Klisurić, Srećko R. Trifunović, Zoran Marković
Topics & Concepts
ChemistryDensity functional theoryMoleculeChemical shiftCarbon-13 NMRComputational chemistryMolecular orbitalIntermolecular forceMolecular geometryProton NMRCrystal structureBond lengthCrystallographyPhysical chemistryStereochemistryOrganic chemistrySynthesis and biological activityMetal complexes synthesis and propertiesNonlinear Optical Materials Research