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Theoretical vibrational spectroscopy (FT-IR), PED and DFT calculations of chromones and thiochromones

Eslam B. Elkaeed, Ehsan Ullah Mughal, Samia Kausar, Hanan Al-Ghulikah, Nafeesa Naeem, Ataf Ali Altaf, Amina Sadiq

2022Journal of Molecular Structure45 citationsDOI

Topics & Concepts

ChemistryHOMO/LUMOChromoneDensity functional theoryComputational chemistryThio-MoleculeChemical shiftReactivity (psychology)Molecular geometrySpectroscopyPhysical chemistryStereochemistryOrganic chemistryAlternative medicineMedicineQuantum mechanicsPhysicsPathologySynthesis of Organic CompoundsMulticomponent Synthesis of HeterocyclesSynthesis and biological activity
Theoretical vibrational spectroscopy (FT-IR), PED and DFT calculations of chromones and thiochromones | Litcius