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DFT/TDDFT investigation on the electronic structures and spectral characteristics of C5H3XOS (X = H, F, Cl or Br)

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dc.contributor.authorGüneş, Esma
dc.contributor.authorŞenyel, Mustafa
dc.contributor.authorMustafa Şenyel
dc.contributor.orcid0000-0001-8097-0290
dc.contributor.orcid0000-0002-6115-6098
dc.date.accessioned2025-11-13T22:53:24Z
dc.date.issued2017-07-01
dc.identifier.doihttps://doi.org/10.1134/s0022476617040060
dc.identifier.endpage693
dc.identifier.issn0022-4766
dc.identifier.issue4
dc.identifier.openalexW2754912420
dc.identifier.startpage684
dc.identifier.urihttps://hdl.handle.net/11421/15643
dc.identifier.urihttps://doi.org/10.1134/s0022476617040060
dc.identifier.volume58
dc.language.isoen
dc.relation.ispartofJournal of Structural Chemistry
dc.rightsrestrictedAccess
dc.subjectDensity functional theory
dc.subjectTime-dependent density functional theory
dc.subjectHalogen
dc.subjectChemistry
dc.subjectComputational chemistry
dc.subjectMolecular orbital
dc.subjectThiophene
dc.subjectBasis set
dc.subjectAtomic orbital
dc.subjectPhysical chemistry
dc.subjectMolecule
dc.subjectOrganic chemistry
dc.titleDFT/TDDFT investigation on the electronic structures and spectral characteristics of C5H3XOS (X = H, F, Cl or Br)
dc.typeArticle
dspace.entity.typePublication
local.authorid.openalexA5046151476
local.authorid.openalexA5079732163

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