Tuning the aqueous solubility, chemical reactivity and absorption wavelength of azo dye through systematic adjustment of molecular charge density: a DFT study
Wahab, Olaide O., Olasunkanmi, Lukman O., Govender, Krishna K., Govender, Penny P.
Published in Molecular physics (03.03.2020)
Published in Molecular physics (03.03.2020)
Get full text
Journal Article
Prediction of aqueous solubility by treatment of COSMO-RS data with empirical solubility equations: the roles of global orbital cut-off and COSMO solvent radius
Wahab, Olaide O., Olasunkanmi, Lukman O., Govender, Krishna K., Govender, Penny P.
Published in Theoretical chemistry accounts (01.06.2019)
Published in Theoretical chemistry accounts (01.06.2019)
Get full text
Journal Article
Exploring zero-valent iron nanoparticles (nZVI) for Bisphenol A removal: Experimental investigations and Monte-Carlo simulation insights
Sulaiman, Wasiu K., Azeez, Luqmon, Adebisi, Segun A., Wahab, Olaide O., Agbaogun, Babatunde K.
Published in Water practice and technology (01.08.2024)
Published in Water practice and technology (01.08.2024)
Get full text
Journal Article
Computational study of mechanistic pathway and effect of zero valent metals on reductive debromination of some polybrominated biphenyls
Olasunkanmi, Lukman O., Wahab, Olaide O., Oladokun, Adebukola H., Adepoju, Adedolapo O., Govender, Penny P.
Published in Computational and theoretical chemistry (01.09.2023)
Published in Computational and theoretical chemistry (01.09.2023)
Get full text
Journal Article
Adsorption and Corrosion Inhibition Potentials of Salicylaldehyde-based Schiff Bases of Semicarbazide and p-Toluidine on Mild Steel in Acidic Medium: Experimental and Computational Studies
Olasunkanmi, Lukman O., Idris, Aishat O., Adewole, Adetola H., Wahab, Olaide O., Ebenso, Eno E.
Published in Surfaces and interfaces (01.12.2020)
Published in Surfaces and interfaces (01.12.2020)
Get full text
Journal Article
Investigating the synergism of some hydrazinecarboxamides and iodide ions as corrosion inhibitor formulations for mild steel in hydrochloric Acid: Experimental and computational studies
Olasunkanmi, Lukman O., Aniki, Nancy I., Adekunle, Abolanle S., Durosinmi, Lateefa M., Durodola, Solomon S., O.Wahab, Olaide, Ebenso, Eno E.
Published in Journal of molecular liquids (01.12.2021)
Published in Journal of molecular liquids (01.12.2021)
Get full text
Journal Article
DMol3/COSMO-RS prediction of aqueous solubility and reactivity of selected Azo dyes: Effect of global orbital cut-off and COSMO segment variation
Wahab, Olaide O., Olasunkanmi, Lukman O., Govender, Krishna K., Govender, Penny P.
Published in Journal of molecular liquids (01.01.2018)
Published in Journal of molecular liquids (01.01.2018)
Get full text
Journal Article
DMol 3 /COSMO-RS prediction of aqueous solubility and reactivity of selected Azo dyes: Effect of global orbital cut-off and COSMO segment variation
Wahab, Olaide O., Olasunkanmi, Lukman O., Govender, Krishna K., Govender, Penny P.
Published in Journal of molecular liquids (01.01.2018)
Published in Journal of molecular liquids (01.01.2018)
Get full text
Journal Article