The Paton Research Group
Computational Organic Chemistry
Research in the Paton group is focused on the development and application of computational tools to accelerate chemical discovery. Quantum chemistry, open source software and statistical modeling tools are used to explore organic reactivity and selectivity aided by extensive collaborations with experimentalists.
Research



Lab Photos
Recent Publications
Popescu, M. V.; Parker, N. A.; Jia, Z.; Solon, P.; Alegre-Requena, J. V.; Paton, R. S.; Smith, M. D. Chem Catal. 2025, accepted
Impact of oxygen and sulfur heteroatom core substitution on properties and performance of phenoxazine photocatalysts.Lathrop, J. L.; Portela, B. S.; Paton, R. S.; Miyake, G. M. Chem. Eur. J. 2025, e202501179
Enantioconvergent Chan–Lam Coupling: Synthesis of Chiral Benzylic Amides via Cu-Catalyzed Deborylative Amidation.Vu, J.; Haug, G.; Head, J.; Paton, R. S.; Dong, Y. J. Am. Chem. Soc. 2025, accepted
Efficient super-reducing organic photoredox catalysis with PCET- mitigated back electron transfer.Bains, A. K.; Sau, A.; Portela, B.; Kajal, Green, A. R. Wolff, A. M.; Patin, L. F.; Paton, R. S.; Damrauer, N. H.; Miyake, G. M. Science 2025, 388, 1294–1300
Ethyl Pinacol Boronates as Advantageous Precursors for Copper-Mediated Radiofluorination.Hadjipaschalis, N.; Ortalli, S.; Chen, Z.; Paton, R. S.; Ford, J.; Tredwell, M.; Gouverneur, V. Org. Lett. 2025, 27, 6545–6550
Synthesis and properties of allylic, benzylic, propargylic and allenylic oxonium ions.Chan, H. S. S.; Li, Y.; Sutro, J. L.; Brown, D. S.; Paton, R. S.; Burton, J. W. Nat. Synth. 2025, accepted