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2019
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20192019
Capturing aromaticity in automatic mechanism generation software
Proceedings of the Combustion Institute37575 – 581 -
20192019
An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone
Proceedings of the Combustion Institute37657 – 665 -
20192019
An apparatus-independent extinction strain rate in counterflow flames
Proceedings of the Combustion Institute371979 – 1987 -
20192019
Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics
Proceedings of the Combustion Institute37363 – 371 -
2019
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2019
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20192019
Learning only buys you so much: Practical limits on battery price reduction
Applied Energy239218 – 224 -
20192019
Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry
The Journal of Physical Chemistry A1232142-2152 -
20192019
Correct Symmetry Treatment for X + X Reactions Prevents Large Errors in Predicted Isotope Enrichment
The Journal of Physical Chemistry A1232320-2324 -
2019
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20192019
H2 Generation from H2O and H2S through an Iodine Cycle
ACS Sustainable Chemistry & Engineering77369-7377 -
20192019
Thermochemistry and Kinetics of Intermolecular Addition of Radicals to Toluene and Alkylaromatics
The Journal of Physical Chemistry A1233176-3184 -
20192019
Thermochemistry and Group Additivity Values for Fused Two-Ring Species and Radicals
The Journal of Physical Chemistry A1233418-3428 -
2019
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20192019
Detailed kinetic model for hexyl sulfide pyrolysis and its desulfurization by supercritical water
Phys. Chem. Chem. Phys.2110311-10324 -
20192019
Large Intermediates in Hydrazine Decomposition: A Theoretical Study of the N3H5 and N4H6 Potential Energy Surfaces
The Journal of Physical Chemistry A1234679-4692 -
20192019
From benzene to naphthalene, direct measurement of ring growth in polycyclic aromatic hydrocarbon formation
Joint Meeting of the US Sections of the Combustion Institute -
20192019
C14 Polycyclic Aromatic Hydrocarbons are Formed by Acetylene Addition to Naphthyl Radicals
Joint Meeting of the US Sections of the Combustion Institute -
20192019
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 -
20192019
Low Temperature Oxidation of Methylpropyl Ether
Joint Meeting of the US Sections of the Combustion Institute -
20192019
{RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application}
Journal of Chemical Information and Modeling592529-2537 -
20192019
Automatic Generation of Reaction Mechanisms
Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion45259-294 -
20192019
Automated chemical resonance generation and structure filtration for kinetic modeling
International Journal of Chemical Kinetics51760-776 -
20192019
Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach
Journal of Physical Chemistry A1235826-5835
Fundamental and Applied Chemical Kinetics