Found 16 results
Filters: Author is Green, William H. [Clear All Filters]
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.. 2019.
Correct Symmetry Treatment for X + X Reactions Prevents Large Errors in Predicted Isotope Enrichment. The Journal of Physical Chemistry A. 123:2320-2324.. 2019.
Detailed kinetic model for hexyl sulfide pyrolysis and its desulfurization by supercritical water. Phys. Chem. Chem. Phys.. 21:10311-10324.. 2019.
A graph-convolutional neural network model for the prediction of chemical reactivity. Chem. Sci.. 10:370-377.. 2019.
H2 Generation from H2O and H2S through an Iodine Cycle. ACS Sustainable Chemistry & Engineering. 7:7369-7377.. 2019.
Large Intermediates in Hydrazine Decomposition: A Theoretical Study of the N3H5 and N4H6 Potential Energy Surfaces. The Journal of Physical Chemistry A.. 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.. 2019.
Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry. The Journal of Physical Chemistry A. 123:2142-2152.. 2019.
Thermochemistry and Group Additivity Values for Fused Two-Ring Species and Radicals. The Journal of Physical Chemistry A. 123:3418-3428.. 2019.
Thermochemistry and Kinetics of Intermolecular Addition of Radicals to Toluene and Alkylaromatics. The Journal of Physical Chemistry A. 123:3176-3184.. 2019.
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms. Computer Physics Communications. 203:212–225.. 2016.
JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation. Combustion and Flame. 162:3115–3129.. 2015.
A kinetic and thermochemical database for organic sulfur and oxygen compounds. Phys. Chem. Chem. Phys.. 17:13625–13639.. 2015.
Kinetics and Products of Vinyl + 1,3-Butadiene, a Potential Route to Benzene. The journal of physical chemistry. A. 119:7325–38.. 2015.
A coordinated investigation of the combustion chemistry of diisopropyl ketone, a prototype for biofuels produced by endophytic fungi. Combustion and Flame. 161:711–724.. 2014.
Automatic estimation of pressure-dependent rate coefficients. Phys. Chem. Chem. Phys.. 14:1131–1155.. 2012.