Browsing Natural and Agricultural Sciences by Subject "Molecular modelling"
Now showing items 1-3 of 3
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Modelling and synthesis of alicyclic bidentate n– and o chelating ligands
(North-West University, 2009)The well-defined ruthenium-carbene complexes reported by Grubbs and co-workers were the first ruthenium catalysts to show good activity and selectivity in metathesis of acyclic and cyclic olefins. Unfortunately the use of ... -
Molecular modelling study of alkene metathesis with phosphine ligated Grubbs-type precatalysts
(North-West University, 2014)In this study, an attempt was made to identify the electronic and steric properties of the precatalyst ligands that determine the characteristics of phosphine ligated Grubbs-type precatalysts for alkene metathesis by means ... -
The speciation and solvent extraction of zirconium and hafnium : a computational and experimental approach
(North-West University (South Africa), Potchefstroom Campus, 2015)Zirconium and hafnium have important applications within the nuclear industry, where zirconium is used to clad the uranium fuel rod tubes that are used during nuclear reactions and hafnium is used in the control rods which ...