Anti-corrosion characteristics of ampicillin and flucloxacillin drugs: A theoretical study

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dc.contributor.authorGece, Gökhan
dc.contributor.authorBilgiç, Semra
dc.date.accessioned2026-02-08T15:03:04Z
dc.date.available2026-02-08T15:03:04Z
dc.date.issued2023
dc.departmentBursa Teknik Üniversitesi
dc.description.abstractTo determine the inhibition efficiency of a corrosion inhibitor, multiple experimental measurements need to be carried out, which is a time-consuming and resource-intensive task. On the other hand, quantum chemical methods are useful research tools for corrosion scientists. In this study, the corrosion inhibition effects of ampicillin and flucloxacillin at the molecular level were evaluated considering some descriptors by density functional theory (DFT) at B3LYP/6-311++G(d,p) level.
dc.identifier.endpage35
dc.identifier.issn1303-6017
dc.identifier.issn2687-4806
dc.identifier.issue2
dc.identifier.startpage29
dc.identifier.urihttps://hdl.handle.net/20.500.12885/3844
dc.identifier.volume65
dc.language.isoen
dc.publisherAnkara Üniversitesi
dc.relation.ispartofCommunications Faculty of Sciences University of Ankara Series B Chemistry and Chemical Engineering
dc.relation.ispartofCommunications Faculty of Sciences University of Ankara Series B Chemistry and Chemical Engineering
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_DergiPark_20260207
dc.subjectComputational Chemistry
dc.subjectHesaplamalı Kimya
dc.titleAnti-corrosion characteristics of ampicillin and flucloxacillin drugs: A theoretical study
dc.typeArticle

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