Found 317 results
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.
A combined photoionization time-of-flight mass spectrometry and laser absorption spectrometry flash photolysis apparatus for simultaneous determination of reaction rates and product branching. Review of Scientific Instruments. 89(7). 2018.
Detailed experimental and modeling study of cyclopentadiene pyrolysis in the presence of ethene. Energy & Fuels. 32:3290-3934.. 2018.
Ember: an open-source transient solver for 1-d reacting flow using large kinetic models, applied to strained extinction. Combustion & Flame.. 2018.
An experimental and modeling study of vacuum residue upgrading in supercritical water. AIChE Journal. 64:1732-1743.. 2018.
An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation. International Journal of Chemical Kinetics. 50:294-303.. 2018.
Incorporating Adoption, Income Inequality, and Multiple Uncertainties into Projections of Chinese Private Car Sales & Stock. Transportation Research Record.. 2018.
Machine Learning in Computer-Aided Synthesis Planning. Accounts of Chemical Research.. 2018.
Modeling Study of High Temperature Pyrolysis of Natural Gas. Industrial & Engineering Chemistry Research. 57(22):7420.. 2018.
Modeling Study of the anti-knock tendency of substituted phenols as additives: An application of the Reaction Mechanism Generator (RMG)�,. Physical Chemistry Chemical Physics.. 2018.
Perspective on Mechanism Development and Structure-Activity Relationships for Gas-phase Atmospheric Chemistry. International Journal of Chemical Kinetics. 50:435-469.. 2018.
Phenyl Radical + Propene: A Prototypical Reaction Surface for Aromatic-Catalyzed 1-Hydrogen-Migration and Subsequent Resonance-Stabilized Radical Formation. Physical Chemistry Chemical Physics. 20(19):13214.. 2018.
Pressure dependent kinetic analysis of pathways to naphthalene from cyclopentadienyl recombination. Combustion & Flame. 187:247-256.. 2018.
SCScore: Synthetic Complexity Learned from a Reaction Corpus. Journal of Chemical Information and Modeling.. 2018.
Shortage of Raw Materials Could Choke Our Electric Car Future. International Association for Energy Economics.. 2018.
Thermochemical Production of Hydrogen from Hydrogen Sulfide with Iodine Thermochemical Cycles. International Journal of Hydrogen Energy.. 2018.
Unexpected Unimolecular Reaction Pathways of a ?-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods Journal of the American Chemical Society. 140:1035-1048.. 2018.
Automated Generation of Chemical Mechanisms for Predicting Extinction Strain Rates with Applications in Flame Stabilization and Combustion Instabilities. 55th AIAA Aerospace Sciences Meeting.. 2017.
Combustion of Synthetic Jet Fuel: Chemical Kinetic Modeling and Uncertainty Analysis. Journal of Propulsion and Power. 33:350-359.. 2017.
Computational investigation of hydrodeoxygenation (HDO) of acetone to propylene on ?-MoO3 (010) surface Journal of Physical Chemistry C. 121:17848-17855.. 2017.
Computer-Assisted Retrosynthesis Based on Molecular Similarity. ACS Central Science. 3:1237.. 2017.