Viewing chemical transfomations computationally utilising molecular modelling approaches gives insight into some of the hidden secrets behind different transformations. This knowledge can thrn be used to improve and optimise processes in ways that are not always obvious from face value. Bryan’s research involves the elucidation of lithiation reaction mechanisms and the structural nature of n-BuLi used to perform such reactions.
Prof Ignacy Cukrowski and Dr Darren Riley
- Competition reaction-based prediction of polyamines’ stepwise protonation constants: A case study involving 1,4,7,10-tetraazadecane (2,2,2-tet), Theoretical Chemistry Accounts, 2016,135: 139
- CpNiBr(NHC) complexes as pre-catalysts in the chemoselective anaerobic oxidation of secondary aryl alcohols: Experimental and DFT studies, Molecular Catalysis, F.P.Malan, E.Singleton, B.W. Bulling, I Cukrowski, P.H.van Rooyen and M. Landman, 432 2017, 47-56.