Publications
Found 332 results
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2020. Iterative Experimental Design Based on Active Machine Learning Reduces the Experimental Burden Associated with Reaction Screening. Reaction Chemistry & Engineering. 5:1963-1972.
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2020. Pressure-Dependent Kinetics of Peroxy Radicals Formed in Isobutanol Combustion. Physical Chemistry Chemical Physics. 22:19802-19815.
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2020. Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry. Scientific Data. 7:137.
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2020. Recharging systems and business operations to improve the economics of electrified taxi fleets. Sustainable Cities & Society. 57:102119.
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2020. Revealing the critical role of radical-involved pathways in high temperature cyclopentanone pyrolysis. Combustion & Flame. 216:280-292.
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2020. Temperature‐dependent vapor–liquid equilibria and solvation free energy estimation from minimal data. AIChE Journal. 66:e16976.
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2020. Theoretical study on the HACA chemistry of naphthalenyl radicals and acetylene: The formation of C12H8, C14H8, and C14H10 species. International Journal of Chemical Kinetics. 52:752-768.
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2020. Thermochemistry Prediction and Automatic Reaction Mechanism Generation for Oxygenated Sulfur Systems: A Case Study of Dimethyl Sulfide Oxidation. ChemSystemsChem. 2:e190005.
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2020. Transition to electric vehicles in China: Implications for private motorization rate and battery market. Energy Policy. 144:111654.
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2020. Transition to Electric Vehicles in China: Implications for Total Cost of Ownership and Cost to Society. SAE International Journal of Sustainable Transportation, Energy, Environment, & Policy. 1:2.
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2020. Uncertainty analysis of correlated parameters in automated reaction mechanism generation. International Journal of Chemical Kinetics. 52:266-282.
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2019. Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach. Journal of Physical Chemistry A. 123:5826-5835.
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2019. An apparatus-independent extinction strain rate in counterflow flames. Proceedings of the Combustion Institute. 37:1979-1987.
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2019. Automated chemical resonance generation and structure filtration for kinetic modeling. International Journal of Chemical Kinetics. 51:760-776.
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2019. Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics. Proceedings of the Combustion Institute. 37:363-371.
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2019. Automatic Generation of Reaction Mechanisms. Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion. 45:259-294.
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2019. C14 Polycyclic Aromatic Hydrocarbons are Formed by Acetylene Addition to Naphthyl Radicals. Joint Meeting of the US Sections of the Combustion Institute.
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2019. Capturing aromaticity in automatic mechanism generation software. Proceedings of the Combustion Institute. 37:575-581.
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2019. Computer-generated isotope model achieves experimental accuracy of filiation for position-specific isotope analysis. Chemical Geology. 514:1-9.
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2019. Cooperative Co0/CoII Sites Stabilized by a Perovskite Matrix Enable Selective C−O and C−C bond Hydrogenolysis of Oxygenated Arenes. ChemSusChem. 12:2171-2175.
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2019. Correct Symmetry Treatment for X + X Reactions Prevents Large Errors in Predicted Isotope Enrichment. The Journal of Physical Chemistry A. 123:2320-2324.
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2019. Detailed kinetic model for hexyl sulfide pyrolysis and its desulfurization by supercritical water. Phys. Chem. Chem. Phys.. 21:10311-10324.
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2019. An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone. Proceedings of the Combustion Institute. 37:657-665.
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2019. From benzene to naphthalene: direct measurement of reactions and intermediates of phenyl radicals and acetylene. Physical Chemistry Chemical Physics. 21:22248-22258.