Cukrowski, IgnacyDhimba, GeorgeRiley, Darren Lyall2019-10-042019-10-042019-07Cukrowski, I., Dhimba, G. & Riley, D.L. 2019, 'A reaction energy profile and fragment attributed molecular system energy change (FAMSEC)-based protocol designed to uncover reaction mechanisms : a case study of the proline-catalysed aldol reaction', Physical Chemistry Chemical Physics, vol. 21, no. 30, pp. 16694-16705.1463-9076 (print)1463-9084 (online)10.1039/C9CP03046Hhttp://hdl.handle.net/2263/71575Please read abstract in the article.en© the Owner Societies 2019Reaction mechanismAb initio calculationsProline catalysed aldol reactionComputational chemistryFragment attributed molecular system energy change (FAMSEC)A reaction energy profile and fragment attributed molecular system energy change (FAMSEC)-based protocol designed to uncover reaction mechanisms : a case study of the proline-catalysed aldol reactionPostprint Article