Publications – Green Research Group

2019
2019

Kinetic analysis and reaction mechanism for anisole conversion over zirconia-supported molybdenum oxide

Journal of Catalysis

376

248-257
2019
2019

A robotic platform for flow synthesis of organic compounds informed by AI planning

Science

365

(
6453
)

eaax1566
2019
2019

From benzene to naphthalene: direct measurement of reactions and intermediates of phenyl radicals and acetylene

Physical Chemistry Chemical Physics

21

22248-22258
2019
2019

Scalability strategies for automated reaction mechanism generation

Computers & Chemical Engineering

131

106578
2019
- Sarah Khanniche
- William H. Green
2019

{Reaction Pathways, Thermodynamics, and Kinetics of Cyclopentanone Oxidation Intermediates: A Theoretical Approach}

Journal of Physical Chemistry A

123

(
45
)

9644-9657
2019
2019

Insights Into Future Mobility

MIT Energy Initiative
2018
2018

Pressure dependent kinetic analysis of pathways to naphthalene from cyclopentadienyl recombination

Combustion & Flame

187

247-256
2018
2018

Unexpected Unimolecular Reaction Pathways of a ?-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods

Journal of the American Chemical Society

140

1035-1048
2018
2018

An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation

International Journal of Chemical Kinetics

50

294-303
2018
2018

Modeling Study of the anti-knock tendency of substituted phenols as additives: An application of the Reaction Mechanism Generator (RMG)�,

Physical Chemistry Chemical Physics
2018
2018

SCScore: Synthetic Complexity Learned from a Reaction Corpus

Journal of Chemical Information and Modeling
2018
2018

Automated Reaction Mechanism Generation Including Heteroatoms: Nitrogen

International Journal of Chemical Kinetics

50

223-258
2018
2018

Detailed experimental and modeling study of cyclopentadiene pyrolysis in the presence of ethene

Energy & Fuels

32

3290-3934
2018
2018

Chemistry of Alkylaromatics Reconsidered

Energy & Fuels

32

5489-5500
2018
2018

Perspective on Mechanism Development and Structure-Activity Relationships for Gas-phase Atmospheric Chemistry

International Journal of Chemical Kinetics

50

435-469
2018
2018

An experimental and modeling study of vacuum residue upgrading in supercritical water

AIChE Journal

64

1732-1743
2018
2018

Phenyl Radical + Propene: A Prototypical Reaction Surface for Aromatic-Catalyzed 1-Hydrogen-Migration and Subsequent Resonance-Stabilized Radical Formation

Physical Chemistry Chemical Physics

20

(
19
)

13214
2018
2018

Machine Learning in Computer-Aided Synthesis Planning

Accounts of Chemical Research
2018
2018

Incorporating Adoption, Income Inequality, and Multiple Uncertainties into Projections of Chinese Private Car Sales & Stock

Transportation Research Record
2018
2018

Ember: an open-source transient solver for 1-d reacting flow using large kinetic models, applied to strained extinction

Combustion & Flame
2018
2018

A combined photoionization time-of-flight mass spectrometry and laser absorption spectrometry flash photolysis apparatus for simultaneous determination of reaction rates and product branching

Review of Scientific Instruments

89

(
7
)
2018
2018

Modeling Study of High Temperature Pyrolysis of Natural Gas

Industrial & Engineering Chemistry Research

57

(
22
)

7420
2018
2018

Thermochemical Production of Hydrogen from Hydrogen Sulfide with Iodine Thermochemical Cycles

International Journal of Hydrogen Energy
2018
- I-Yun Lisa Hsieh
- William H. Green
2018

Shortage of Raw Materials Could Choke Our Electric Car Future

International Association for Energy Economics
2017
2017

Combustion of Synthetic Jet Fuel: Chemical Kinetic Modeling and Uncertainty Analysis

Journal of Propulsion and Power

33

350-359