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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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2023.01.01

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Langmuir adsorption, benzotriazole, 2-mercaptobenzothiazole, 8-hydroxyquinoline, 3-amino-1, 2, 4-triazole-5-thiol, Al-Mg-Si, ONIOM, CAM-DFT, NMR, NBO, IR, UV-vis, HOMO, LUMO

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https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=dspace_ku&SrcAuth=WosAPI&KeyUT=WOS:001017036900001&DestLinkType=FullRecord&DestApp=WOS
 https://hdl.handle.net/20.500.12597/16061

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