Publications

Found 9 results
Filters: Author is Green, William H.  [Clear All Filters]
2023
Dana AGrinberg, Johnson MS, Allen JW, Sharma S, Raman S, Liu M, Gao CW, Grambow CA, Goldman MJ, Ranasinghe DS et al..  2023.  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.
Dong X, Pio G, Arafin F, Laich A, Baker J, Ninnemann E, Vasu SS, Green WH.  2023.  Butyl Acetate Pyrolysis and Combustion Chemistry: Mechanism Generation and Shock Tube Experiments. The Journal of Physical Chemistry A. 127(14):3231-3245.
Heid E, McGill CJ, Vermeire FH, Green WH.  2023.  Characterizing Uncertainty in Machine Learning for Chemistry. Journal of Chemical Information and Modeling. 63(13):4012-4029.
Chung Y, Green WH.  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.
Pang H-W, Forsuelo M, Dong X, Hawtof RE, Ranasinghe DS, Green WH.  2023.  Detailed Multiphase Chemical Kinetic Model for Polymer Fouling in a Distillation Column. Industrial & Engineering Chemistry ResearchIndustrial & Engineering Chemistry Research.
Biswas S, Sader KMoreno, Green WH.  2023.  Perspective on Decarbonizing Long-Haul Trucks Using Onboard Dehydrogenation of Liquid Organic Hydrogen Carriers. Energy & Fuels.
Biswas S, Chung Y, Ramirez J, Wu H, Green WH.  2023.  Predicting Critical Properties and Acentric Factors of Fluids Using Multitask Machine Learning. Journal of Chemical Information and Modeling. 63(15):4574-4588.
Liang J, He R, Nagaraja SS, A. Mohamed AEl-Sabor, Lu H, Almarzooq YM, Dong X, Mathieu O, Green WH, Petersen EL et al..  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.