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Predicting the degradation potential of Acid blue 113 by different oxidants using quantum chemical analysis
In this work, quantum chemical analysis was used to predict the degradation potential of a recalcitrant dye, Acid blue 113, by hydrogen peroxide, ozone, hydroxyl radical and sulfate radical. Geometry optimization and frequency calculations were performed at ‘Hartree Fock’, ‘Becke, 3-parameter, Lee–Y...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6734339/ https://www.ncbi.nlm.nih.gov/pubmed/31517121 http://dx.doi.org/10.1016/j.heliyon.2019.e02396 |