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
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Authors
Cukrowski, Ignacy
Dhimba, George
Riley, Darren Lyall
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Volume Title
Publisher
Royal Society of Chemistry
Abstract
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Keywords
Reaction mechanism, Ab initio calculations, Proline catalysed aldol reaction, Computational chemistry, Fragment attributed molecular system energy change (FAMSEC)
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Citation
Cukrowski, 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.