Publications

Found 262 results
2019
Long AE, Burbano H, Speth RL, Movaghar A, Egolfopoulos FN, Green WH.  2019.  An apparatus-independent extinction strain rate in counterflow flames. Proceedings of the Combustion Institute. 37:1979-1987.
Keceli M, Elliott SN, Li Y-P, Johnson MS, Cavallotti C, Georgievsk, ii Y, Green WH, Pelucchi M, Wozniak JM, Jasper AW et al..  2019.  Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics. Proceedings of the Combustion Institute. 37:363-371.
Green WH.  2019.  Automatic Generation of Reaction Mechanisms. Mathematical Modeling of Complex Reaction Systems.
Smith MC, Chu T-C, Green WH.  2019.  C14 Polycyclic Aromatic Hydrocarbons are Formed by Acetylene Addition to Naphthyl Radicals. Joint Meeting of the US Sections of the Combustion Institute.
Liu M, Green WH.  2019.  Capturing aromaticity in automatic mechanism generation software. Proceedings of the Combustion Institute. 37:575-581.
Goldman MJacob, Vandewiele NM, Ono S, Green WH.  2019.  Computer-generated isotope model achieves experimental accuracy of filiation for position-specific isotope analysis. Chemical Geology. 514:1-9.
Shetty M, Zanchet D, Green WH, Román-Leshkov Y.  2019.  Cooperative Co0/CoII Sites Stabilized by a Perovskite Matrix Enable Selective C−O and C−C bond Hydrogenolysis of Oxygenated Arenes. ChemSusChem. 12:2171-2175.
Goldman MJacob, Ono S, Green WH.  2019.  Correct Symmetry Treatment for X + X Reactions Prevents Large Errors in Predicted Isotope Enrichment. The Journal of Physical Chemistry A. 123:2320-2324.
Class CA, Vasiliou AGK, Kida Y, Timko MT, Green WH.  2019.  Detailed kinetic model for hexyl sulfide pyrolysis and its desulfurization by supercritical water. Phys. Chem. Chem. Phys.. 21:10311-10324.
Zhang K, Lokachari N, Ninnemann E, Khanniche S, Green WH, Curran HJ, Vasu SS, Pitz WJ.  2019.  An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone. Proceedings of the Combustion Institute. 37:657-665.
Chu T-C, Smith MC, Uwagwu AB, Buras ZJ, Green WH.  2019.  From benzene to naphthalene, direct measurement of ring growth in polycyclic aromatic hydrocarbon formation. Joint Meeting of the US Sections of the Combustion Institute.
Coley CW, Jin W, Rogers L, Jamison TF, Jaakkola TS, Green WH, Barzilay R, Jensen KF.  2019.  A graph-convolutional neural network model for the prediction of chemical reactivity. Chem. Sci.. 10:370-377.
Gillis RJ, Lolur P, Green WH.  2019.  H2 Generation from H2O and H2S through an Iodine Cycle. ACS Sustainable Chemistry & Engineering. 7:7369-7377.
Dana AGrinberg, Moore KB, Jasper AW, Green WH.  2019.  Large Intermediates in Hydrazine Decomposition: A Theoretical Study of the N3H5 and N4H6 Potential Energy Surfaces. The Journal of Physical Chemistry A.
Hsieh I-YLisa, Pan MSam, Chiang Y-M, Green WH.  2019.  Learning only buys you so much: Practical limits on battery price reduction. Applied Energy. 239:218-224.
Nimlos MR, Bu L, Johnson MS, Kang D, Fioroni GM, McCormick RL, Kim S, Foust TD, S. Goldsborough S, Green WH.  2019.  Low Temperature Oxidation of Methylpropyl Ether. Joint Meeting of the US Sections of the Combustion Institute.
Chu T-C, Buras ZJ, Oßwald P, Liu M, Goldman MJacob, Green WH.  2019.  Modeling of aromatics formation in fuel-rich methane oxy-combustion with an automatically generated pressure-dependent mechanism. Phys. Chem. Chem. Phys.. 21(2):813-832.
Long AE, Speth RL, Green WH.  2019.  Numerical investigation of strained extinction at engine-relevant pressures: Pressure dependence and sensitivity to chemical and physical parameters for methane-based flames. Combustion and Flame. 202:318-333.
Li Y-P, Han K, Grambow CA, Green WH.  2019.  Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry. The Journal of Physical Chemistry A. 123:2142-2152.
Zhao H, Dana AGrinberg, Zhang Z, Green WH, Ju Y.  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.
Lai L, Khanniche S, Green WH.  2019.  Thermochemistry and Group Additivity Values for Fused Two-Ring Species and Radicals. The Journal of Physical Chemistry A. 123:3418-3428.
Lai L, Green WH.  2019.  Thermochemistry and Kinetics of Intermolecular Addition of Radicals to Toluene and Alkylaromatics. The Journal of Physical Chemistry A. 123:3176-3184.

Pages