Publications
Found 317 results
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2019. Studies of Low and High Temperature Oxidation of N-pentane with Nitric Oxide and Nitrogen Dioxide Additions in a Jet Stirred Reactor. Joint Meeting of the US Sections of the Combustion Institute.
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2019. Thermochemistry and Group Additivity Values for Fused Two-Ring Species and Radicals. The Journal of Physical Chemistry A. 123:3418-3428.
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2019. Thermochemistry and Kinetics of Intermolecular Addition of Radicals to Toluene and Alkylaromatics. The Journal of Physical Chemistry A. 123:3176-3184.
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2018. Automated Reaction Mechanism Generation Including Heteroatoms: Nitrogen. International Journal of Chemical Kinetics. 50:223-258.
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2018. Chemistry of Alkylaromatics Reconsidered. Energy & Fuels. 32:5489-5500.
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2018. A combined photoionization time-of-flight mass spectrometry and laser absorption spectrometry flash photolysis apparatus for simultaneous determination of reaction rates and product branching. Review of Scientific Instruments. 89(7)
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2018. Detailed experimental and modeling study of cyclopentadiene pyrolysis in the presence of ethene. Energy & Fuels. 32:3290-3934.
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2018. Ember: an open-source transient solver for 1-d reacting flow using large kinetic models, applied to strained extinction. Combustion & Flame.
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2018. An experimental and modeling study of vacuum residue upgrading in supercritical water. AIChE Journal. 64:1732-1743.
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2018. An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation. International Journal of Chemical Kinetics. 50:294-303.
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2018. Incorporating Adoption, Income Inequality, and Multiple Uncertainties into Projections of Chinese Private Car Sales & Stock. Transportation Research Record.
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2018. Machine Learning in Computer-Aided Synthesis Planning. Accounts of Chemical Research.
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2018. Modeling Study of High Temperature Pyrolysis of Natural Gas. Industrial & Engineering Chemistry Research. 57(22):7420.
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2018. Modeling Study of the anti-knock tendency of substituted phenols as additives: An application of the Reaction Mechanism Generator (RMG)�,. Physical Chemistry Chemical Physics.
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2018. Perspective on Mechanism Development and Structure-Activity Relationships for Gas-phase Atmospheric Chemistry. International Journal of Chemical Kinetics. 50:435-469.
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2018. Phenyl Radical + Propene: A Prototypical Reaction Surface for Aromatic-Catalyzed 1-Hydrogen-Migration and Subsequent Resonance-Stabilized Radical Formation. Physical Chemistry Chemical Physics. 20(19):13214.
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2018. Pressure dependent kinetic analysis of pathways to naphthalene from cyclopentadienyl recombination. Combustion & Flame. 187:247-256.
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2018. SCScore: Synthetic Complexity Learned from a Reaction Corpus. Journal of Chemical Information and Modeling.
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2018. Shortage of Raw Materials Could Choke Our Electric Car Future. International Association for Energy Economics.
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2018. Thermochemical Production of Hydrogen from Hydrogen Sulfide with Iodine Thermochemical Cycles. International Journal of Hydrogen Energy.
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2018. Unexpected Unimolecular Reaction Pathways of a ?-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods Journal of the American Chemical Society. 140:1035-1048.
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2017. Automated Generation of Chemical Mechanisms for Predicting Extinction Strain Rates with Applications in Flame Stabilization and Combustion Instabilities. 55th AIAA Aerospace Sciences Meeting.
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2017. Combustion of Synthetic Jet Fuel: Chemical Kinetic Modeling and Uncertainty Analysis. Journal of Propulsion and Power. 33:350-359.
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2017. Computational investigation of hydrodeoxygenation (HDO) of acetone to propylene on ?-MoO3 (010) surface Journal of Physical Chemistry C. 121:17848-17855.
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2017. Computer-Assisted Retrosynthesis Based on Molecular Similarity. ACS Central Science. 3:1237.