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Computational study of anion-anion intermolecular interactions between I3-ions in the gas phase, solution and solid state (Stellenbosch : Stellenbosch University, 2012-12)Please refer to full text for abstract.
(Stellenbosch : Stellenbosch University, 2016-03)ENGLISH ABSTRACT: systematic theoretical investigation was performed to determine the hydrogen bond acceptor ability of the AuI metal centre in anionic and neutral complexes, where it acts as a Lewis base. The study was ...
(Stellenbosch : Stellenbosch University, 2016-12)ENGLISH ABSTRACT: A theoretical study of a series of Au(I) complexes was performed in order to evaluate their suitability as anti-cancer prodrugs targeting the mitochondria and the TrxR enzyme. The complexes studied comprise ...
(Stellenbosch : Stellenbosch University, 2016-03)ENGLISH ABSTRACT : A theoretical study of iodine to iodine (I⋯I) interactions within dimers of transition metal-iodide complexes was performed utilizing the Cambridge Structural Database (CSD) and computational methods. A ...