Publications
Found 324 results
21st-Century Kinetics: Quantitative Predictions from First Principles. Proceedings of the 8th World Congress of Chemical Engineering.
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2009. Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni(111) under Realistic Conditions. Journal of Physical Chemistry C. 113:4894-4908.
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2009. Computed rate coefficients and product yields for C5H5 + CH3 = products. Journal of Physical Chemistry A. 113:8871-8882.
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2009. A Detailed Kinetic Model for Combustion Synthesis of Titania from TiCl4. Combustion and Flame. 156:1764-1770.
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2009. Formation of Styrene from propargyl and cyclopentadienyl. Proceedings of the 6th US National Combustion Meeting.
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2009. Pressure and Temperature Dependence of the Reaction of Vinyl Radical with Alkenes II: Measured Rates and Predicted Product Distributions for Vinyl + Propene. Proceedings of the Combustion Institute. :139-148.
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2009. Pressure and Temperature Dependence of the Reaction of Vinyl Radical with Alkenes III: Measured Rates and Predicted Product Distributions for Vinyl + Butene. Journal of Physical Chemistry A. 113:13357-13371.
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2009. Temperature-Dependent Kinetics of the Vinyl Radical (C2H3) Self-Reaction. Journal of Physical Chemistry A. 113:1278-1286.
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2009. Using adaptive proper orthogonal decomposition to solve the reaction-diffusion equation. Applied Numerical Mathematics. 59:272-279.
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2009. Building and Solving Accurate Combustion Chemistry Simulations. Journal of the Combustion Society of Japan. 50:19-28.
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2008. Co-oxidation of ammonia and ethanol in supercritical water, part 2: Modeling demonstrates the importance of H2NNOx. International Journal of Chemical Kinetics. 40:653-662.
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2008. Detailed Chemical Kinetic Simulations of HCCI Engine Transients. International Journal of Engine Research. 9:149-164.
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2008. Experimental study of catalyst nanoparticle and single walled carbon nanotube formation in a controlled premixed combustion. Journal of Materials Chemistry. 18:1561-1569.
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2008. Modelling Gas-Phase Synthesis of Single-Walled Carbon Nanotubes on Iron Catalyst Particles. Carbon. 46:422-433.
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2008. Optimal Automatic Reaction and Species Elimination in Kinetic Mechanisms. Combustion & Flame. 155:118-132.
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2008. Predicted Reaction Rates of HxNyOz Intermediates in the Oxidation of Hydroxylamine by Aqueous Nitric Acid. Journal of Physical Chemistry A. 112:7577-7593.
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2008. Primary Reference Fuel Behavior in a HCCI Engine Near the Low-Load Limit. SAE. 1667:2008-01.
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2008. Thermochemical Properties and Group Values for Nitrogen-Containing Molecules. Journal of Physical Chemistry A.. 112:9144-52.
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2008. Ab initio Aqueous Thermochemistry: Application to the Oxidation of Hydroxylamine in Nitric Acid Solution. Journal of Physical Chemistry B. 111:11968-11983.
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2007. Detailed Kinetic Modeling of Iron Nanoparticle Synthesis from Fe(CO)5. Journal of Physical Chemistry C. 111:5677-5688.
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2007. Effects of Variation in Market Gasoline Properties on HCCI Load Limits. JSAE. :SAE-1859.
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2007. First Principles Thermochemistry for production of TiO2 from TiCl4. Journal of Physical Chemistry A. 111:3560-3565.
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2007. Measurements and Automated Mechanism Generation Modeling of OH Production in Photolytically-Initiated Oxidation of the Neopentyl Radical. Journal of Physical Chemistry A. 111:3891-3900.
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2007. Obtaining Accurate Solutions using Reduced Chemical Kinetic Models: A new Model Reduction method for models rigorously validated over ranges. Combustion Theory and Modelling. 11:127-146.
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