-
20172017
On-the-Fly Pruning for Rate-Based Reaction Mechanism Generation
Computers and Chemical Engineering1001-8 -
20172017
Automated Generation of Chemical Mechanisms for Predicting Extinction Strain Rates with Applications in Flame Stabilization and Combustion Instabilities
55th AIAA Aerospace Sciences Meeting -
20172017
Steam Methane Reforming on a Ni-based Bimetallic Catalyst: Density Functional Theory and Experimental Studies of the Catalytic Consequence of Surface Alloying of Ni with Ag.
Catalysis Science & Technology71713-1725 -
2017
-
20172017
Structural properties and reactivity trends of molybdenum oxide catalysts supported on zirconia for the hydrodeoxygenation of anisole
ACS Sustainable Chemistry and Engineering55293-5301 -
20172017
Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction
Journal of Chemical Information & Modeling571757-1772 -
20172017
Computational investigation of hydrodeoxygenation (HDO) of acetone to propylene on ?-MoO3 (010) surface
Journal of Physical Chemistry C12117848-17855 -
20172017
Minimizing E-factor in the continuous-flow synthesis of diazepam and atropine
Bioorganic and Medicinal Chemistry256233-6241 -
2017
-
20162016
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms
Computer Physics Communications203212–225 -
2016
-
20162016
The Engine Reformer: Syngas Production in an Engine for Compact Gas-to-Liquids Synthesis
Canadian Journal of Chemical Engineering94623-635 -
2016
-
20162016
Temperature and Pressure Dependent Kinetics of CH2OO + CH3COCH3 and CH2OO + CH3CHO: Direct Measurements and Theoretical Analysis
International Journal of Chemical Kinetics48474-488 -
20162016
The effect of alcohol and carbonyl functional groups on the competition between unimolecular decomposition and isomerization in C4 and C5 alkoxy radicals
International Journal of Chemical Kinetics48544-555 -
20162016
Methanol Formation from the Treatment of Glycerol in Supercritical Water and with Ethylsulfide
Journal of Supercritical Fluids11780-88 -
20162016
Automatic Mechanism Generation for Pyrolysis of Di-tert-Butyl Sulfide
Physical Chemistry Chemical Physics1821651 -
20152015
A kinetic and thermochemical database for organic sulfur and oxygen compounds
Phys. Chem. Chem. Phys.1713625–13639 -
20152015
JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation
Combustion and Flame1623115–3129 -
20152015
Kinetics and Products of Vinyl + 1,3-Butadiene, a Potential Route to Benzene
The journal of physical chemistry. A1197325–38 -
2015
-
20152015
Rule-Based Ab initio kinetic model for alkyl sulfide pyrolysis
Chemical Engineering Journal278385-393 -
20152015
Continuous Thermal Oxidation of Alkenes with Nitrous Oxide in a Packed Bed Reactor
Industrial & Engineering Chemistry Research544166 -
20152015
Upgrading and Desulfurization of Heavy Oils by Supercritical Water
Journal of Supercritical Fluids96114-123 -
20152015
Influence of Double Bond Position on the Oxidation of Decene Isomers
Proceedings of the Combustion Institute 35333-340
Fundamental and Applied Chemical Kinetics