Publications
Found 9 results
Filters: Author is Green, William H. [Clear All Filters]
Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software. International Journal of Chemical Kinetics. 55(6):300-323.
.
2023. Butyl Acetate Pyrolysis and Combustion Chemistry: Mechanism Generation and Shock Tube Experiments. The Journal of Physical Chemistry A. 127(14):3231-3245.
.
2023. Characterizing Uncertainty in Machine Learning for Chemistry. Journal of Chemical Information and Modeling. 63(13):4012-4029.
.
2023. Computing Kinetic Solvent Effects and Liquid Phase Rate Constants Using Quantum Chemistry and COSMO-RS Methods. The Journal of Physical Chemistry A. 127(27):5637-5651.
.
2023. Detailed Multiphase Chemical Kinetic Model for Polymer Fouling in a Distillation Column. Industrial & Engineering Chemistry ResearchIndustrial & Engineering Chemistry Research.
.
2023. Perspective on Decarbonizing Long-Haul Trucks Using Onboard Dehydrogenation of Liquid Organic Hydrogen Carriers. Energy & Fuels.
.
2023. Predicting Critical Properties and Acentric Factors of Fluids Using Multitask Machine Learning. Journal of Chemical Information and Modeling. 63(15):4574-4588.
.
2023. A wide range experimental and kinetic modeling study of the oxidation of 2,3-dimethyl-2-butene: Part 1. Combustion and Flame. 251:112731.
.
2023. Examining the Accuracy of Methods for Obtaining Pressure Dependent Rate Coefficients. Faraday Discussions. :-.
.
2022.