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Computational note on the ground state hydrogen conformations and vibrational analysis of 2, 3-, 4- and 5-dihydroxybenzaldehydes by density functional theory calculation

ArticleAçık Erişim

Anahtar Kelimeler

ConformationDFTDihydroxybenzaldehydeRelative energyVibrational deviation
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AlanDeğerDil
dc.contributor.authorUcun, Fatih
dc.contributor.authorSaǧlam, Adnan
dc.contributor.authorÇirak, Çaǧri
dc.date.accessioned2026-10-18T20:30:56.644040159Z
dc.date.available2026-10-18T20:30:56.644040159Z
dc.date.issued2010
dc.identifier.doi10.1016/j.theochem.2009.09.037
dc.identifier.endpage139
dc.identifier.issn0166-1280
dc.identifier.issue1-3
dc.identifier.scopus2-s2.0-72049100692
dc.identifier.startpage139
dc.identifier.urihttps://rdlopen.rawdatalibrary.net/r/ebyu/16124
dc.identifier.volume939
dc.identifier.wosWOS:000279200100022
dc.language.isoen
dc.publisherELSEVIER
dc.relation.ispartofJournal of Molecular Structure: THEOCHEM
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectConformation
dc.subjectDFT
dc.subjectDihydroxybenzaldehyde
dc.subjectRelative energy
dc.subjectVibrational deviation
dc.titleComputational note on the ground state hydrogen conformations and vibrational analysis of 2, 3-, 4- and 5-dihydroxybenzaldehydes by density functional theory calculation
dc.typeArticle
dspace.entity.typePublication
rdl.citation.scopus0
rdl.citation.wos0
rdl.source.indexSCOPUS
rdl.source.indexWOS
rdl.wos.indexScience Citation Index Expanded (SCI-EXPANDED)