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The quantum chemical calculations of serine, therionine and glutamine

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dc.contributor.authorKandemirli F.
dc.contributor.authorSaracoglu M.
dc.contributor.authorAmin M.A.
dc.contributor.authorBasaran M.A.
dc.contributor.authorVurdu C.D.
dc.date.accessioned2023-04-12T03:00:35Z
dc.date.available2023-04-12T03:00:35Z
dc.date.issued2014-01-01
dc.description.abstractAn examination of quantum chemical and corrosion inhibition studies for three serine (Ser), therionine (Thr) and glutamine (Glu) which had been tested as corrosion safe inhibitors for cold rolled steel (CRS) in 1.0 M HCl solutions at different temperatures (283-333 K) were made to see if any clear links exist between them. The Genetic Function Approximation Method has been used for QSAR study. The correlation between inhibition efficiency and descriptor variables obtained from the quantum chemical calculation using B3LYP/6-311G(d,p), B3LYP/6-311++G(2d,2p), MP2/6-311G(d,p), and CBS-APNO methods. © 2014 The Authors.
dc.identifier.scopus2-s2.0-84898668018
dc.identifier.urihttps://hdl.handle.net/20.500.12597/5951
dc.relation.ispartofInternational Journal of Electrochemical Science
dc.rightsfalse
dc.subjectCorrosion inhibition | Genetic function approximation method | Glutamine | Serine | Therionine
dc.titleThe quantum chemical calculations of serine, therionine and glutamine
dc.typeArticle
dspace.entity.typeScopus
oaire.citation.issue7
oaire.citation.volume9
person.affiliation.nameKastamonu University
person.affiliation.nameErciyes Üniversitesi
person.affiliation.nameTaif University
person.affiliation.nameAkdeniz Üniversitesi
person.affiliation.nameKastamonu University
person.identifier.scopus-author-id6602393314
person.identifier.scopus-author-id8401644300
person.identifier.scopus-author-id16456549200
person.identifier.scopus-author-id57211930065
person.identifier.scopus-author-id21740376000

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