William H. Green
web.mit.edu
0000-0003-2603-9694
43 papers found
Refreshing results…
Oxidation and pyrolysis of methyl propyl ether
Learning to Optimize Molecular Geometries Using Reinforcement Learning
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors
C14H10 polycyclic aromatic hydrocarbon formation by acetylene addition to naphthalenyl radicals observed
Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction
Methyl propyl ether combustion
Formation of Two-Ring Aromatics in Hexylbenzene Pyrolysis
Pressure-dependent kinetics of peroxy radicals formed in isobutanol combustion
Addition to “Correct Symmetry Treatment for X + X Reactions Prevents Large Errors in Predicted Isotope Enrichment”
A Decision Tree Based Machine Learning Algorithm for Rate Estimation
Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach
Computer-generated isotope model achieves experimental accuracy of filiation for position-specific isotope analysis
Correct Symmetry Treatment for X + X Reactions Prevents Large Errors in Predicted Isotope Enrichment
Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry
A combined photoionization time-of-flight mass spectrometry and laser absorption spectrometry flash photolysis apparatus for simultaneous determination of reaction rates and product branching
An experimental and modeling study of vacuum residue upgrading in supercritical water
Detailed Experimental and Kinetic Modeling Study of Cyclopentadiene Pyrolysis in the Presence of Ethene
Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods
Modeling study of the anti-knock tendency of substituted phenols as additives: an application of the reaction mechanism generator (RMG)
Pressure dependent kinetic analysis of pathways to naphthalene from cyclopentadienyl recombination
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