Found 262 results
An apparatus-independent extinction strain rate in counterflow flames. Proceedings of the Combustion Institute. 37:1979-1987.. 2019.
Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics. Proceedings of the Combustion Institute. 37:363-371.. 2019.
Automatic Generation of Reaction Mechanisms. Mathematical Modeling of Complex Reaction Systems.. 2019.
C14 Polycyclic Aromatic Hydrocarbons are Formed by Acetylene Addition to Naphthyl Radicals. Joint Meeting of the US Sections of the Combustion Institute.. 2019.
Capturing aromaticity in automatic mechanism generation software. Proceedings of the Combustion Institute. 37:575-581.. 2019.
Computer-generated isotope model achieves experimental accuracy of filiation for position-specific isotope analysis. Chemical Geology. 514:1-9.. 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.. 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.
An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone. Proceedings of the Combustion Institute. 37:657-665.. 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.. 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.
Learning only buys you so much: Practical limits on battery price reduction. Applied Energy. 239:218-224.. 2019.
Low Temperature Oxidation of Methylpropyl Ether. Joint Meeting of the US Sections of the Combustion Institute.. 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.
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.. 2019.
Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry. The Journal of Physical Chemistry A. 123:2142-2152.. 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.. 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.
Automated Reaction Mechanism Generation Including Heteroatoms: Nitrogen. International Journal of Chemical Kinetics. 50:223-258.. 2018.
Chemistry of Alkylaromatics Reconsidered. Energy & Fuels. 32:5489-5500.. 2018.