Publications

Found 262 results
2014
Kida Y, Class CA, Concepcion AJ, Timko MT, Green WH.  2014.  Combining Experiment and Theory to Elucidate the Role of Supercritical Water in Sulfide Decomposition. Physical Chemistry Chemical Physics. 16:9220-9228.
Allen JW, Gao C, Merchant SS, Scheer AM, Vasu SS, Welz O, Savee J.D, Osborn DL, Lee C, Vranckx S et al..  2014.  Concerted Development of Biofuel Production and Utilization: A Coordinated Investigation of Diisopropyl Ketone, a Prototypical Biofuel. Combustion & Flame. 161:711-724.
Allen JW, Scheer AM, Gao CW, Merchant SS, Vasu SS, Welz O, Savee JD, Osborn DL, Lee C, Vranckx S et al..  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.
Buras ZJ, Elsamra RIM, Green WH.  2014.  Direct Determination of the Simplest Criegee Intermediate (CH2OO) Self-Reaction Rate. Journal of Physical Chemistry Letters. 5:2224-2228.
Buras ZJ, Elsamra R, Jalan A, Middaugh J, Green WH.  2014.  Direct Kinetic Measurements of Reactions between the Criegee Intermediate (CH2OO) and Alkenes. Journal of Physical Chemistry A. 118:1997-2006.
Speth RL, Chow E, Malina R, Barrett S, Heywood JB, Green WH.  2014.  Environmental and Economic Benefits of Higher-Octane Gasoline. Environmental Science & Technology. 48:6561-6568.
Vandewiele NM, .  2014.  Experimental and Modeling Study on the Thermal Decomposition of Jet Propellant. Energy & Fuels. 8:4876-4985.
Li Y, Suleimanov YV, Green WH, Guo H.  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.
Timko M.T, Schmois E, Patwardhan P, Kida Y, Class C, Green WH, Nelson RK, Reddy CM.  2014.  Response of Different Types of Sulfur Compounds to Oxidative Desulfurization. Energy & Fuels. 28:2977-2983.
Suleimanov YV, Kong WJ, Guo H, Green WH.  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.
Ates A, Azimi G, Choi K-H, Green WH, Timko MT.  2014.  The role of catalyst in supercritical water desulfurization. Applied Catalysis B. 147:144-155.
Prozument K, Suleimanov YV, Buesser B, Oldham JM, Green WH, Suits AG, Field �aRobert W.  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.
de Tudela RPe?rez, Suleimanov YV, Richardson JO, Ra?banos VSa?ez, Green WH, F. Aoiz J.  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.
Acocella A, Lim E, Cedrone K, Bromberg L, Seethamraju S, Cohn D, Green W.  2014.  System and Market Analysis of Methanol Production Using Compact Reformers. ASME ES. :2014-6518.
Gonzalez-Lavado E, Corchado JC, Suleimanov YV, Green WH, Espinosa-Garcia J.  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.
2013
Blurock E, Battin-Leclerc F, Faravelli T, Green WH.  2013.  Automatic generation of detailed mechanisms in Cleaner Combustion: Developing Detailed Chemical Kinetic Models, ed. by.
Speth RL, MacNamara S, Green WH, Strang G.  2013.  Balanced Splitting and Rebalanced Splitting. SIAM Journal on Numerical Analysis. 51:3084.
Hansen N, Merchant SS, Harper MR, Green WH.  2013.  Chemical Structures of Premixed iso-Butanol Flames. Combustion Meeting.
Jalan A, Allen JW, Green WH.  2013.  Chemically activated formation of organic acids in reactions of the Criegee intermediate with aldehydes and ketones. Physical Chemistry Chemical Physics. 15:16841-16852.
Merchant SS, Zanoelo EF, Speth RL, Harper MR, Van Geem KM, Green WH.  2013.  Combustion and Pyrolysis of iso-Butanol: Experimental and Chemical Kinetic Modeling Study. Combustion & Flame. 160:1907-1929.
Rosado-Reyes C, Tsang W, Alecu I, Merchant SS, Green WH.  2013.  Dehydration of Isobutanol and the Elimination of Water from Fuel Alcohols. Journal of Physical Chemistry A. 117:6724-6736.
Magoon GR, Green WH.  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.
Liu Z, Green WH.  2013.  Experimental investigation of sorbent for warm CO2 capture by pressure swing adsorption. Industrial and Engineering Chemistry Research. 52:9665.
Jalan A, West RH, Green WH.  2013.  An Extensible Framework for Capturing Solvent Effects in Computer Generated Kinetic Models. Journal of Physical Chemistry B. 117:2955-2970.
Allen JW, Green WH, Li Y, Guo H, Suleimanov YV.  2013.  Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 CH3 + H2O. J. Chem. Phys.. 138:221103.

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