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Application of DFT and TD-DFT on Langmuir Adsorption of Nitrogen and Sulfur Heterocycle Dopants on an Aluminum Surface Decorated with Magnesium and Silicon

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dc.contributor.authorMollaamin, F
dc.contributor.authorMonajjemi, M
dc.date.accessioned2023-07-08T22:10:37Z
dc.date.available2023-07-08T22:10:37Z
dc.date.issued2023.01.01
dc.identifier.doi10.3390/computation11060108
dc.identifier.eissn2079-3197
dc.identifier.endpage
dc.identifier.issn
dc.identifier.issue6
dc.identifier.startpage
dc.identifier.urihttps://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=dspace_ku&SrcAuth=WosAPI&KeyUT=WOS:001017036900001&DestLinkType=FullRecord&DestApp=WOS
dc.identifier.urihttps://hdl.handle.net/20.500.12597/16061
dc.identifier.volume11
dc.identifier.wosWOS:001017036900001
dc.relation.ispartofCOMPUTATION
dc.subjectLangmuir adsorption
dc.subjectbenzotriazole
dc.subject2-mercaptobenzothiazole
dc.subject8-hydroxyquinoline
dc.subject3-amino-1
dc.subject2
dc.subject4-triazole-5-thiol
dc.subjectAl-Mg-Si
dc.subjectONIOM
dc.subjectCAM-DFT
dc.subjectNMR
dc.subjectNBO
dc.subjectIR
dc.subjectUV-vis
dc.subjectHOMO
dc.subjectLUMO
dc.titleApplication of DFT and TD-DFT on Langmuir Adsorption of Nitrogen and Sulfur Heterocycle Dopants on an Aluminum Surface Decorated with Magnesium and Silicon
dc.typeArticle
dspace.entity.typeWos
relation.isPublicationOfWosebe7a5de-1f59-46ee-b1ab-c092cf8eb6b1
relation.isPublicationOfWos.latestForDiscoveryebe7a5de-1f59-46ee-b1ab-c092cf8eb6b1

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