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Tuning the aqueous solubility,chemical reactivity and absorption wavelength of azo dye through systematic adjustment of molecular charge density: a DFT study |
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| Authors: | Olaide O Wahab Lukman O Olasunkanmi Krishna K Govender |
| Institution: | 1. Department of Applied Chemistry, University of Johannesburg, Johannesburg, South Africa;2. Department of Chemistry, Faculty of Science, Obafemi Awolowo University, Ile-Ife, Nigeria;3. Council for Scientific and Industrial Research, National Integrated Cyber Infrastructure, Centre for High Performance Computing, Cape Town, South Africa |
| Abstract: | |
| Keywords: | Absorption wavelength aqueous solubility azo dye chemical reactivity DFT |