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Monomeric or dimeric? A theoretical and vibrational spectroscopic approach to the structural stability of 5-(4-metoxy benzoyl)-6-(4-metoxyphenyl)-3-methyl-2-thioxo-2,3-dihydropyrimidine-4(1H)-on

Hatice Arı, Talat Özpozan, Yiğit Kabacalı, Mustafa Saçmacı

2020Journal of Molecular Structure11 citationsDOI

Topics & Concepts

ChemistryMoleculeMonomerBasis setHydrogen bondDensity functional theoryMolecular orbitalHOMO/LUMOEnthalpyComputational chemistryMulliken population analysisRaman spectroscopyQuantum chemistryCrystallographyPhysical chemistryThermodynamicsSupramolecular chemistryPolymerOrganic chemistryOpticsPhysicsSynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsMulticomponent Synthesis of Heterocycles
Monomeric or dimeric? A theoretical and vibrational spectroscopic approach to the structural stability of 5-(4-metoxy benzoyl)-6-(4-metoxyphenyl)-3-methyl-2-thioxo-2,3-dihydropyrimidine-4(1H)-on | Litcius