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Study of O H···O bonded-cyclic dimer for 2,5-Dihydroxyterephthalic acid as aided by MD, DFT calculations and IR, Raman, NMR spectroscopy

Ramanna P. Kavali, J. Tonannavar, J. Tonannavar, Jyoti Bhovi, J. Tonannavar, J. Tonannavar

2022Journal of Molecular Structure18 citationsDOI

Topics & Concepts

ChemistryDimerRaman spectroscopyNatural bond orbitalHydrogen bondvan der Waals forceCrystallographyDensity functional theoryCovalent bondMolecular orbitalComputational chemistryMolecular dynamicsSteric effectsMoleculeStereochemistryOpticsOrganic chemistryPhysicsMetal-Organic Frameworks: Synthesis and ApplicationsCrystallography and molecular interactionsNonlinear Optical Materials Research
Study of O H···O bonded-cyclic dimer for 2,5-Dihydroxyterephthalic acid as aided by MD, DFT calculations and IR, Raman, NMR spectroscopy | Litcius