A computational UV-Vis spectroscopic study of the chemical speciation of 2-mercaptobenzothiazole corrosion inhibitor in aqueous solution
In order to understand the chemical speciation of 2-mercaptobenzothiazole (MBT) corrosion inhibitor as a function of pH, the experimental electronic absorption spectra was compared with those calculated at the EOMCCSD, TD-M06-2X and TD-B3LYP levels of theory for several different species that may re...
| Autor principal: | |
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| Outros Autores: | , , , , |
| Formato: | article |
| Idioma: | eng |
| Publicado em: |
2016
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| Assuntos: | |
| Texto completo: | http://hdl.handle.net/10773/18106 |
| País: | Portugal |
| Oai: | oai:ria.ua.pt:10773/18106 |