Degradation of Indigo Dye Using Quantum Mechanical Calculations
The semiempirical (PM3) and DFT quantum mechanical methods were used to investigate the theoretical degradation of Indigo dye. The chemical reactivity of the Indigo dye was evaluated by comparing the potential energy stability of the mean bonds. Seven transition states were suggested and studied to...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
University of Baghdad, College of Science for Women
2023-08-01
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| Series: | مجلة بغداد للعلوم |
| Subjects: | |
| Online Access: | https://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/7380 |
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