3-7 December 2017
Velmoré Hotel Estate
Africa/Johannesburg timezone

DMol3/COSMO-RS Prediction of Aqueous Solubility and Reactivity of Selected Azo Dyes: Effect of Global Orbital Cut-off and COSMO Segment Variation

5 Dec 2017, 12:00
20m
Velmoré Hotel Estate

Velmoré Hotel Estate

96 Main Road (M26) Hennops River Erasmia
Poster Materials Science & Physics Material Science

Speaker

Mr Olaide Wahab (Department of Applied Chemistry, University of Johannesburg, P. O. Box 17011, Doornfontein Campus, 2028, Johannesburg, South Africa)

HPC content

I made use of the CHPC to get access to the Material Studio license and I also ran all my simulations on the CHPC cluster.

Primary author

Mr Olaide Wahab (Department of Applied Chemistry, University of Johannesburg, P. O. Box 17011, Doornfontein Campus, 2028, Johannesburg, South Africa)

Co-authors

Dr Krishna Govender (Council for Scientific and Industrial Research, Meraka Institute, Centre for High Performance Computing, 15 Lower Hope Road, Rosebank, Cape Town, 7700.) Dr Lukman Olasunkanmi (Department of Chemistry, Faculty of Science, Obafemi Awolowo University, Ile-Ife 220005, Nigeria.) Prof. Penny Govender (Department of Applied Chemistry, University of Johannesburg, P. O. Box 17011, Doornfontein Campus, 2028, Johannesburg, South Africa)

Presentation Materials

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