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gNMR simulated 1H and proton-coupled 13C NMR spectra of substituted 3-nitropyridines. GIAO/DFT calculated values of proton and carbon chemical shifts and coupling constants

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dc.contributor.authorAlan R. Katritzky
dc.contributor.authorGüven, Alâattin
dc.contributor.authorNovruz G. Akhmedov
dc.contributor.authorAlâattin Güven
dc.contributor.authorJacek Doskocz
dc.contributor.authorRena G. Akhmedova
dc.contributor.authorSuman Majumder
dc.contributor.authorC. Dennis Hall
dc.contributor.orcid0000-0002-4586-2304
dc.contributor.orcid0000-0002-5299-2465
dc.contributor.orcid0000-0003-3898-7261
dc.date.accessioned2025-11-13T10:08:31Z
dc.date.issued2006-02-24
dc.identifier.doi10.1016/j.molstruc.2005.10.041
dc.identifier.endpage147
dc.identifier.issn0022-2860
dc.identifier.issue1-3
dc.identifier.openalexW2055054642
dc.identifier.scopus2-s2.0-33646127610
dc.identifier.startpage131
dc.identifier.urihttps://hdl.handle.net/11421/3249
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2005.10.041
dc.identifier.volume787
dc.identifier.wos000237941100019
dc.language.isoen
dc.relation.ispartofJournal of Molecular Structure
dc.rightsrestrictedAccess
dc.subjectChemistry
dc.subjectChemical shift
dc.subjectProton
dc.subjectCarbon-13 NMR
dc.subjectCoupling constant
dc.subjectComputational chemistry
dc.subjectDensity functional theory
dc.subjectProton NMR
dc.subjectSpectral line
dc.subjectAtomic orbital
dc.subjectNMR spectra database
dc.subjectCarbon-13 NMR satellite
dc.subjectRelaxation (psychology)
dc.subjectPhysical chemistry
dc.subjectNuclear magnetic resonance
dc.subjectNuclear magnetic resonance spectroscopy
dc.subjectFluorine-19 NMR
dc.subjectStereochemistry
dc.titlegNMR simulated 1H and proton-coupled 13C NMR spectra of substituted 3-nitropyridines. GIAO/DFT calculated values of proton and carbon chemical shifts and coupling constants
dc.typeArticle
dspace.entity.typePublication
local.authorid.openalexA5111709557

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