Found 262 results
Combining Experiment and Theory to Elucidate the Role of Supercritical Water in Sulfide Decomposition. Physical Chemistry Chemical Physics. 16:9220-9228.. 2014.
Concerted Development of Biofuel Production and Utilization: A Coordinated Investigation of Diisopropyl Ketone, a Prototypical Biofuel. Combustion & Flame. 161:711-724.. 2014.
A coordinated investigation of the combustion chemistry of diisopropyl ketone, a prototype for biofuels produced by endophytic fungi. Combustion and Flame. 161:711–724.. 2014.
Direct Determination of the Simplest Criegee Intermediate (CH2OO) Self-Reaction Rate. Journal of Physical Chemistry Letters. 5:2224-2228.. 2014.
Direct Kinetic Measurements of Reactions between the Criegee Intermediate (CH2OO) and Alkenes. Journal of Physical Chemistry A. 118:1997-2006.. 2014.
Environmental and Economic Benefits of Higher-Octane Gasoline. Environmental Science & Technology. 48:6561-6568.. 2014.
Experimental and Modeling Study on the Thermal Decomposition of Jet Propellant. Energy & Fuels. 8:4876-4985.. 2014.
Quantum Rate Coefficients and Kinetic Isotope Effect for the Reaction Cl + CH4 –> HCl + CH3 from Ring Polymer Molecular Dynamics. Journal of Physical Chemistry A. 118:1989-1996.. 2014.
Response of Different Types of Sulfur Compounds to Oxidative Desulfurization. Energy & Fuels. 28:2977-2983.. 2014.
Ring Polymer Molecular Dynamics: Rate Coefficient Calculations for Energetically Symmetric (Near Thermoneutral) Insertion Reactions X+ H2 = XH + H (X=C(1D),S(1D)). Journal of Chemical Physics. 141:3.. 2014.
The role of catalyst in supercritical water desulfurization. Applied Catalysis B. 147:144-155.. 2014.
Signature of Roaming Dynamics in the Thermal Decomposition of Ethyl Nitrite: Chirped Pulse Rotational Spectroscopy and Kinetic Modeling�. Journal of Physical Chemistry Letters. 5:3641-3648.. 2014.
Stress Test for Quantum Dynamics Approximations: Deep Tunnelling in the Muonium Exchange Reaction D+HMu = H + DMu. Journal of Physical Chemistry Letters. 5:4219-4224.. 2014.
System and Market Analysis of Methanol Production Using Compact Reformers. ASME ES. :2014-6518.. 2014.
Theoretical Kinetics Study of the O(3P) + CH4/CD4 Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects and Quantum Mechanical Tunneling. Journal of Physical Chemistry A. 118:3243.. 2014.
Automatic generation of detailed mechanisms in Cleaner Combustion: Developing Detailed Chemical Kinetic Models, ed. by.. 2013.
Balanced Splitting and Rebalanced Splitting. SIAM Journal on Numerical Analysis. 51:3084.. 2013.
Chemical Structures of Premixed iso-Butanol Flames. Combustion Meeting.. 2013.
Chemically activated formation of organic acids in reactions of the Criegee intermediate with aldehydes and ketones. Physical Chemistry Chemical Physics. 15:16841-16852.. 2013.
Combustion and Pyrolysis of iso-Butanol: Experimental and Chemical Kinetic Modeling Study. Combustion & Flame. 160:1907-1929.. 2013.
Dehydration of Isobutanol and the Elimination of Water from Fuel Alcohols. Journal of Physical Chemistry A. 117:6724-6736.. 2013.
Design and implementation of a next-generation software system for on-the-fly quantum and force field calculations in automated reaction mechanism generation. Computers & Chemical Engineering. 52:35-45.. 2013.
Experimental investigation of sorbent for warm CO2 capture by pressure swing adsorption. Industrial and Engineering Chemistry Research. 52:9665.. 2013.
An Extensible Framework for Capturing Solvent Effects in Computer Generated Kinetic Models. Journal of Physical Chemistry B. 117:2955-2970.. 2013.