Publications

See Google Scholar for the most up-to-date listing of publications

Johnson, M. S.; McGill, C. J.; Green, W. H. Transitory Sensitivity in Automatic Chemical Kinetic Mechanism Analysis; preprint; Chemistry, 2022. Link

Liu, Y.; McGill, C. J.; Green, W. H.; Deshlahra, P. Effects of Surface Species and Homogeneous Reactions on Rates and Selectivity in Ethane Oxidation on Oxide Catalysts. AIChE J. 2021, July, 1–15. Link

McGill, C.; Forsuelo, M.; Guan, Y.; Green, W. H. Predicting Infrared Spectra with Message Passing Neural Networks. J. Chem. Inf. Model. 2021, 61 (6), 2594–2609. Link

Clark, J. A.; Thacker, P. J.; McGill, C. J.; Miles, J. R.; Westmoreland, P. R.; Efimenko, K.; Genzer, J.; Santiso, E. E. DFT Analysis of Organotin Catalytic Mechanisms in Dehydration Esterification Reactions for Terephthalic Acid and 2,2,4,4-Tetramethyl-1,3-Cyclobutanediol. J. Phys. Chem. A 2021, 125 (23), 4943–4956. Link

McGill, C. J.; Westmoreland, P. R. Molecular Carbonyl Insertion as the Homogeneous Catalysis Mechanism for Transesterification of Dimethyl Terephthalate with Ethylene Glycol. Ind. Eng. Chem. Res. 2021, 60 (14), 5090–5101. Link

McGill, C. J.; Westmoreland, P. R. Monosaccharide Isomer Interconversions Become Significant at High Temperatures. J. Phys. Chem. A 2019, 123 (1), 120–131. Link

Mangalum, A.; Morgan, B. P.; Hanley, J. M.; Jecen, K. M.; McGill, C. J.; Robertson, G. A.; Smith, R. C. Interchromophore Orientation Scaffolding by M-Terphenyl Oxacyclophanes. Chem. Commun. (Camb). 2010, 46 (28), 5136–5138. Link