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NMR spectra, GIAO and charge density calculations of five‐membered aromatic heterocycles

dc.contributor.authorGüven, Alâattin
dc.contributor.authorNovruz G. Akhmedov
dc.contributor.authorJacek Doskocz
dc.contributor.authorPrabhu P. Mohapatra
dc.contributor.authorC. Dennis Hall
dc.contributor.authorAlâattin Güven
dc.contributor.orcid0000-0002-4586-2304
dc.contributor.orcid0000-0002-5299-2465
dc.contributor.orcid0000-0002-6707-048X
dc.date.accessioned2025-11-13T09:54:29Z
dc.date.issued2007-05-29
dc.identifier.doihttps://doi.org/10.1002/mrc.1967
dc.identifier.endpage543
dc.identifier.issn0749-1581
dc.identifier.issue7
dc.identifier.openalexW2049519287
dc.identifier.startpage532
dc.identifier.urihttps://hdl.handle.net/11421/2560
dc.identifier.urihttps://doi.org/10.1002/mrc.1967
dc.identifier.volume45
dc.language.isoen
dc.relation.ispartofMagnetic Resonance in Chemistry
dc.rightsrestrictedAccess
dc.subjectChemistry
dc.subjectNatural bond orbital
dc.subjectBasis set
dc.subjectChemical shift
dc.subjectDensity functional theory
dc.subjectComputational chemistry
dc.subjectAtomic orbital
dc.subjectBond length
dc.subjectCarbon-13 NMR
dc.subjectCoupling constant
dc.subjectMolecular geometry
dc.subjectCrystallography
dc.subjectPhysical chemistry
dc.subjectMolecule
dc.subjectStereochemistry
dc.subjectCrystal structure
dc.subjectElectron
dc.subjectOrganic chemistry
dc.subjectPhysics
dc.titleNMR spectra, GIAO and charge density calculations of five‐membered aromatic heterocycles
dc.typeArticle
dspace.entity.typePublication
local.authorid.openalexA5111709557

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