Tag: prediction
Prediction of homolytic bond dissociation enthalpies for organic molecules at near chemical accuracy with sub-second computational cost.St John, P.; Guan, Y.; Kim, Y.; Kim, S.; Paton, R. S. Nat. Commun. 2020, 11, 2328
Conformational Effects on Physical-Organic Descriptors – the Case of Sterimol Steric Parameters.Brethomé, A. V.; Fletcher, S. P.; Paton, R. S. ACS Catal. 2019, 9, 2313–2323
Retooling Asymmetric Conjugate Additions for Sterically Demanding Substrates with an Iterative Data-Driven Approach.Brethomé, A. V.; Paton, R. S.; Fletcher, S. P. ACS Catal. 2019, 9, 7179–7187
Asymmetric Nucleophilic Fluorination Under Hydrogen Bonding Phase Transfer Catalysis.Pupo, G.; Ibba, F.; Ascough, D. M. H.; Vicini, A. C.; Ricci, P.; Christensen, K.; Morphy, J. R.; Brown, J. M.; Paton, R. S.; Gouverneur, V. Science 2018, 360, 638–642
Selectivity in Transition Metal-Catalyzed Cyclizations: Insights from Experiment and Theory.Anderson, E. A.; Paton, R. S. CHIMIA 2018, 72, 614–620
Computational Ligand Design in Enantio- and Diastereoselective Ynamide [5+2] Cycloisomerizations.Straker, R.; Peng, Q.; Mekareeya, A.; Paton, R. S.; Anderson, E. A. Nat. Commun. 2015, 7, 10109
Paton Research Group
Department of Chemistry
Colorado State University
1301 Center Avenue
Ft. Collins, CO 80523-1872
patonlab@colostate.edu