-
20192019
Thermochemistry and Group Additivity Values for Fused Two-Ring Species and Radicals
The Journal of Physical Chemistry A1233418-3428 -
2019
-
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 -
2019
-
20192019
A robotic platform for flow synthesis of organic compounds informed by AI planning
Science365(6453)eaax1566 -
20192019
From benzene to naphthalene: direct measurement of reactions and intermediates of phenyl radicals and acetylene
Physical Chemistry Chemical Physics2122248-22258 -
20192019
Scalability strategies for automated reaction mechanism generation
Computers & Chemical Engineering131106578 -
20192019
{Reaction Pathways, Thermodynamics, and Kinetics of Cyclopentanone Oxidation Intermediates: A Theoretical Approach}
Journal of Physical Chemistry A123(45)9644-9657 -
2019
- William H. Green
- Robert C. Armstrong
- Moshe Ben-Akiva
- John B. Heywood
- Christopher Knittel
- Sergey Paltsev
- Brian Reimer
- Chintan Vaishnav
- Jinhua Zhao
- Randall P. Field
- Eytan Gross
- Joanna Moody
- Emil Dimanchev
- Emre Gencer
- Abbas Ghandi
- I-Yun Lisa Hsieh
- Ian Miller
- Jennifer Morris
- Elizabeth Murphy
- Ashley Nunes
- Jimi B. Oke
- Rakesh Sridhar
- Dustin Weigel
2019Insights Into Future Mobility
MIT Energy Initiative -
2018
-
20182018
Unexpected Unimolecular Reaction Pathways of a ?-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods
Journal of the American Chemical Society1401035-1048 -
20182018
An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation
International Journal of Chemical Kinetics50294-303 -
2018
-
20182018
SCScore: Synthetic Complexity Learned from a Reaction Corpus
Journal of Chemical Information and Modeling -
20182018
Automated Reaction Mechanism Generation Including Heteroatoms: Nitrogen
International Journal of Chemical Kinetics50223-258 -
2018
Fundamental and Applied Chemical Kinetics