Browsing by Author "Louis, Hitler"
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Computational screening of zeolites for the adsorption of selected pharmaceutical pollutants
Wanyonyi, Fred Sifuna; Pembere, Anthony; Mutua, Gershom Kyalo; Orata, Francis; Louis, Hitler (SN Applied Sciences, 2020-10-27)Molecular simulations have been used as a screening tool to identify promising zeolites for the removal of selected pharmaceutical pollutants. 40 zeolites with different structural and chemical configurations were studied. ... -
Ethanol Conversion to Butanol over Small Coinage Metal Clusters: An Experimental and Computational Study
Pembere, Anthony M. S.; Magero, Denis; Barasa, Godfrey O.; Mutua, Gershom Kyalo; Louis, Hitler; Wu, Haiming (Journal of Cluster Science, 2022-08-26)We illustrate the mechanism for the C–O, C–H and O–H bond activation in the coupling of ethanol to butanol over small coinage clusters (copper, silver and gold). It is found that charge transfer interactions between the ... -
Ethernal Conversion to Butanol over Small Coinage Metal Clusters: An Experimental and Computational Study
Pembere, Anthony M. S.; Magero, Denis; Barasa, Godfrey O.; Mutua, Gershom Kyalo; Louis, Hitler; Wu, Haiming (Journal of Cluster Science, 2022-08-26)We illustrate the mechanism for the C–O, C–H and O–H bond activation in the coupling of ethanol to butanol over small coinage clusters (copper, silver and gold). It is found that charge transfer interactions between the ... -
Simulation guided prediction of zeolites for the sorption of selected anions from water: Machine learning predictors for enhanced loading
Wanyonyi, Fred Sifuna; Fidelis, Timothy Tizhe; Louis, Hitler; Mutua, Gershom Kyalo; Orata, Francis; Rhyman, Lydia; Ramasami, Ponnadurai; Pembere, Anthony M.S. (Journal of Molecular Liquids, 2022-06-01)The development of highly efficient adsorbents, especially those that can harvest anions like CrO42−, AsO43−, NO3– and PO43−, is one of the principal challenges in the water treatment field. The current study utilized a ... -
Simulation guided prediction of zeolites for the sorption of selected anions from water: Machine learning predictors for enhanced loading
Wanyonyi, FredSifuna; Tizhe Fidelis, Timothy; Louis, Hitler; Mutua, Gershom Kyalo; Orata, Francis; Rhyman, Lydia; Ramasami, Ponnadurai; Pembere, Anthony M.S. (Journal of Molecular Liquids, 2022-06-01)The development of highly efficient adsorbents, especially those that can harvest anions like CrO42−, AsO43−, NO3– and PO43−, is one of the principal challenges in the water treatment field. The current study utilized a ...