William H Green
Affiliation: Massachusetts Institute of Technology
Buras Z, Chu T, Jamal A, Yee N, Middaugh J, Green W. Phenyl radical + propene: a prototypical reaction surface for aromatic-catalyzed 1,2-hydrogen-migration and subsequent resonance-stabilized radical formation. Phys Chem Chem Phys. 2018;20:13191-13214 pubmed publisher
Class C, Liu M, Vandeputte A, Green W. Automatic mechanism generation for pyrolysis of di-tert-butyl sulfide. Phys Chem Chem Phys. 2016;18:21651-8 pubmed publisher
..Cyclohexene has a significant effect on the composition of the radical pool, and this led to dramatic changes in the resulting product distribution. ..
Zhang P, Yee N, Filip S, Hetrick C, Yang B, Green W. Modeling study of the anti-knock tendency of substituted phenols as additives: an application of the reaction mechanism generator (RMG). Phys Chem Chem Phys. 2018;20:10637-10649 pubmed publisher
..This study explains the chemical mechanism by which methyl-substituted phenols increase RON, and demonstrates how fundamental chemical kinetics can be used to evaluate practical fuel additive performance. ..
Chu T, Buras Z, Oswald P, Liu M, Goldman M, Green W. Modeling of aromatics formation in fuel-rich methane oxy-combustion with an automatically generated pressure-dependent mechanism. Phys Chem Chem Phys. 2019;21:813-832 pubmed publisher
Class C, Aguilera Iparraguirre J, Green W. A kinetic and thermochemical database for organic sulfur and oxygen compounds. Phys Chem Chem Phys. 2015;17:13625-39 pubmed publisher
..The computed rate coefficients and thermochemical parameters are expected to be useful for kinetic modeling. ..