Publications

Found 16 results
Filters: Author is Green, William H.  [Clear All Filters]
2019
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.
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.
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.
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.
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.
2012
Allen JW, C. Goldsmith F, Green WH.  2012.  Automatic estimation of pressure-dependent rate coefficients. Phys. Chem. Chem. Phys.. 14:1131–1155.