Publications
Found 324 results
Direct Measurement of the Fast Reversible Addition of Oxygen to Cyclohexadienyl Radicals in Nonpolar Solvents. Journal of Physical Chemistry A. 108:7193-7203.
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2004. The Electrostatic Origin of Abrahams Solute Polarity Parameter. Preprints of the ACS Division of Environmental Chemistry.
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2004. Elementary Reaction Rate Model for MPA Oxidation in Supercritical Water. Physical Chemistry Chemical Physics. 6:4310-4320.
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2004. Global Solution of Semi-Infinite Programs. Proceedings of the European Symposium on Computer-Aided Process Engineering (ESCAPE-14).
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2004. High Gradient Magnetic Separation of Coated Magnetic Nanoparticles. A.I.Ch.E. Journal. 50:2835-2848.
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2004. Predicting Chemical Kinetics with Computational Chemistry: Is QOOH = HOQO Important in Fuel Ignition? Molecular Physics. 102:371.
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2004. Prediction of performance maps for homogeneous-charge compression-ignition engines. Combustion Science & Technology. 176:1243-1282.
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2004. An Adaptive Chemistry Approach to Modeling Complex Kinetics in Reacting Flows. Combustion & Flame. 133:451-465.
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2003. Application of Computational Kinetic Mechanism Generation to Model the Autocatalytic Pyrolysis of Methane. Industrial & Engineering Chemistry Research. 42:1000-1010.
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2003. Capturing Pressure-Dependence in Automated Mechanism Generation: Reactions Through Cycloalkyl Intermediates. International Journal of Chemical Kinetics. 35:95-119.
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2003. A Consistent-Splitting Approach to Computing Stiff Steady-State Reacting Flows with Adaptive Chemistry. Combustion Theory and Modelling. 7:383-399.
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2003. Cyclic Ether Formation from Hydroperoxyalkyl Radicals (QOOH). Journal of Physical Chemistry A. 107:4908-4920.
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2003. Kinetic Model for Polycrystalline Pd/PdOx in Oxidation/Reduction Cycles. Applied Catalysis A. 244:323-340.
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2003. Mechanism Generation with Integrated Pressure-Dependence: A New Model for Methane Pyrolysis. Journal of Physical Chemistry A. 107:8552-8565.
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2003. New, computer-discovered pathways for methane and ethane pyrolysis. Preprints of the ACS Division of Fuel Chemistry.
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2003. Optimally-Reduced Kinetic Models: Reaction Elimination in Large-Scale Kinetic Mechanisms. Combustion & Flame. 135:191-208.
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2003. Oxygenate, Oxyalkyl, and Alkoxycarbonyl Thermochemistry and Rates for Hydrogen Abstraction from Oxygenates. Physical Chemistry Chemical Physics. 5:3402-3417.
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2003. Prediction of the Knock Limit and the Viable Operating Range for a PRF-fueled Homogeneous Charge Compression Ignition (HCCI) engine. Homogeneous Charge Compression Ignition (HCCI) Combustion. SP-1742
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2003. Reduced Models for Adaptive Chemistry Simulation of Reacting Flows. Computational Fluid and Solid Mechanics: Proceedings of the Second MIT Conference on Computational Fluid and Solid Mechanics, ed.
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2003. The Temperature and Molecular Size Dependence of the High-Pressure Limit. Journal of Physical Chemistry A. 107:6206-6211.
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2003. Upper Bound on the Yield for Oxidative Coupling of Methane. Journal of Catalysis. 218:321-333.
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2003. Building and screening pressure-dependent reactions for large, gas-phase chemical mechanisms. Preprints of the ACS Division of Petroleum Chemistry.
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2002. JThermodynamic Properties of Ketenes: Group Additivity Values from Quantum Chemical Calculations. Journal of Physical Chemistry A. 106:7937-7949.
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