Found 332 results
Eyke N, Green WH, Jensen KF.  2020.  Iterative Experimental Design Based on Active Machine Learning Reduces the Experimental Burden Associated with Reaction Screening. Reaction Chemistry & Engineering. 5:1963-1972.
Pattanaik L, Ganea O-E, Coley I, Jensen KF, Green WH, Coley CW.  2020.  Message Passing Networks for Molecules with Tetrahedral Chirality.
Goldman MJacob, Yee NW, Kroll JH, Green WH.  2020.  Pressure-Dependent Kinetics of Peroxy Radicals Formed in Isobutanol Combustion. Physical Chemistry Chemical Physics. 22:19802-19815.
Grambow CA, Pattanaik L, Green WH.  2020.  Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry. Scientific Data. 7:137.
Hsieh I-YLisa, Nunes A, Pan MSam, Green WH.  2020.  Recharging systems and business operations to improve the economics of electrified taxi fleets. Sustainable Cities & Society. 57:102119.
Dong X, Ninnemann E, Ranasinghe DS, Laich A, Greene R, Vasu SS, Green WH.  2020.  Revealing the critical role of radical-involved pathways in high temperature cyclopentanone pyrolysis. Combustion & Flame. 216:280-292.
Chung Y, Gillis RJ, Green WH.  2020.  Temperature‐dependent vapor–liquid equilibria and solvation free energy estimation from minimal data. AIChE Journal. 66:e16976.
Chu T‐C, Smith MC, Yang J, Liu M, Green WH.  2020.  Theoretical study on the HACA chemistry of naphthalenyl radicals and acetylene: The formation of C12H8, C14H8, and C14H10 species. International Journal of Chemical Kinetics. 52:752-768.
Gillis RJ, Green WH.  2020.  Thermochemistry Prediction and Automatic Reaction Mechanism Generation for Oxygenated Sulfur Systems: A Case Study of Dimethyl Sulfide Oxidation. ChemSystemsChem. 2:e190005.
Hsieh I-YLisa, Pan MSam, Green WH.  2020.  Transition to electric vehicles in China: Implications for private motorization rate and battery market. Energy Policy. 144:111654.
Hsieh I-YLisa, Green WH.  2020.  Transition to Electric Vehicles in China: Implications for Total Cost of Ownership and Cost to Society. SAE International Journal of Sustainable Transportation, Energy, Environment, & Policy. 1:2.
Gao CW, Liu M, Green WH.  2020.  Uncertainty analysis of correlated parameters in automated reaction mechanism generation. International Journal of Chemical Kinetics. 52:266-282.
Grambow CA, Li Y-P, Green WH.  2019.  Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach. Journal of Physical Chemistry A. 123:5826-5835.
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.
Dana AGrinberg, Liu M, Green WH.  2019.  Automated chemical resonance generation and structure filtration for kinetic modeling. International Journal of Chemical Kinetics. 51:760-776.
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 Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion. 45:259-294.
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, Roman-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, Buras ZJ, Smith MC, Uwagwu AB, Green WH.  2019.  From benzene to naphthalene: direct measurement of reactions and intermediates of phenyl radicals and acetylene. Physical Chemistry Chemical Physics. 21:22248-22258.