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.


Reaction mechanism of solvated n-BuLi with thiophene in THF: A theoretical and spectroscopic study