1. Department of Applied Chemistry; University of Johannesburg; P. O. Box 17011, Doornfontein Campus 2028 Johannesburg South Africa
2. Council for Scientific and Industrial Research, Meraka Institute; Center for High Performance Computing; 15 Lower Hope Road, Rosebank Cape Town 7700 South Africa
3. Research Focus Area for Chemical Resource Beneficiation; Laboratory of Applied Molecular Modelling, North-West University; Potchefstroom 2520 South Africa