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

Mollaamin, FMonajjemi, M2023-07-082023-07-082023.01.01https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=dspace_ku&SrcAuth=WosAPI&KeyUT=WOS:001017036900001&DestLinkType=FullRecord&DestApp=WOShttps://hdl.handle.net/20.500.12597/16061Langmuir adsorptionbenzotriazole2-mercaptobenzothiazole8-hydroxyquinoline3-amino-124-triazole-5-thiolAl-Mg-SiONIOMCAM-DFTNMRNBOIRUV-visHOMOLUMOApplication of DFT and TD-DFT on Langmuir Adsorption of Nitrogen and Sulfur Heterocycle Dopants on an Aluminum Surface Decorated with Magnesium and SiliconArticle10.3390/computation11060108WOS:0010170369000011162079-3197