Dr Théo Piechota Gonçalves
Théo started his chemistry study at the faculty of Chemistry at University of Technology Lodz in Poland. Later on he moved to Brazil where he completed his BSc at Federal University of Pernambuco in the field of physical organic chemistry.
He earned his MSc degree in Organic Synthesis field at University of Southampton under the supervision of Prof. David Harrowven. Théo continues work in the group of Prof. Harrowven, whose team tries to understand reaction mechanisms and provide new solutions to problems in total synthesis.
Théo’s research project is focused on the application of molecular modelling to understand the reactivity and reactions of cyclobutenones. He is particularly interested in the calculation of transition states to explain experimental outcomes for both reagentless transformations and those involving organometallic additions, which is the focus of his PhD.
The computation power required to perform such transition state calculations is provided by the IRIDIS High Performance Computing Facility at the University of Southampton and the National Service for Computational Chemistry Software (NSCCS).
- (Link): S. T. Perri, H. W. Moore, J. Org. Chem. 1988, 53, 996–1003.
- (Link): M. Mohamed, T. P. Gonçalves, R. J. Whitby, H. F. Sneddon, D. C. Harrowven Chem. Eur. J. 2011, 17, 13698–13705.
- (Link): D. C. Harrowven, M. Mohamed, T. P. Gonçalves, R. J. Whitby, D. Bolien, H. F. Sneddon Angew. Chem. Int. Ed., 2012, 51. 4405- 4408.
- (Link): W. J. Buffham, N. A. Swain, S. L. Kostiuk, T. P. Gonçalves, D. C. Harrowven Eur. J. Org. Chem. 2012, 6, 1217–1222.
(Link): E. Packard, D. D. Pascoe, J. Maddaluno, T. P. Gonçalves, D. C. Harrowven Angew. Chem. Int. Ed., 2013, 49, 13314–13317.
- (Link): T. P. Gonçalves, M. Mohamed, R. J. Whitby, D. Bolien, H. F. Sneddon, D. C. Harrowven Angew. Chem. Int. Ed., 2015, 54, 4531–4534.