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...

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Detalles Bibliográficos
Autores principales: Asghar, Anam, Bello, Mustapha Mohammed, Raman, Abdul Aziz Abdul, Daud, Wan Mohd Ashri Wan, Ramalingam, Anantharaj, Zain, Sharifuddin Bin Md
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Article
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

Internet

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

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