Found 332 results
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.
Green WH, Armstrong RC, Ben-Akiva M, Heywood JB, Knittel C, Paltsev S, Reimer B, Vaishnav C, Zhao J, Field RP et al..  2019.  Insights Into Future Mobility. MIT Energy Initiative.
Shetty M, Anderson E, Green WH, Roman-Leshkov Y.  2019.  Kinetic analysis and reaction mechanism for anisole conversion over zirconia-supported molybdenum oxide. Journal of Catalysis. 376:248-257.
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. 123:4679-4692.
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. Physical Chemistry Chemical Physics. 21:813-832.
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.
Coley CW, Green WH, Jensen KF.  2019.  RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application. Journal of Chemical Information and Modeling. 59:2529-2537.
Khanniche S, Green WH.  2019.  Reaction Pathways, Thermodynamics, and Kinetics of Cyclopentanone Oxidation Intermediates: A Theoretical Approach. Journal of Physical Chemistry A. 123(45):9644-9657.
Coley CW, Thomas, III DA, Lummiss JAM, Jaworski JN, Breen CP, Schultz V, Hart T, Fishman JS, Rogers L, Gao H et al..  2019.  A robotic platform for flow synthesis of organic compounds informed by AI planning. Science. 365(6453):eaax1566.
Jocher A, Vandewiele NM, Han K, Liu M, Gao CW, Gillis RJ, Green WH.  2019.  Scalability strategies for automated reaction mechanism generation. Computers & Chemical Engineering. 131:106578.
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.