William H. Green
William H. Green
Hoyt C. Hottel Professor of Chemical Engineering, MIT
Verified email at - Homepage
Cited by
Cited by
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms
CW Gao, JW Allen, WH Green, RH West
Computer Physics Communications 203, 212-225, 2016
Prediction of organic reaction outcomes using machine learning
CW Coley, R Barzilay, TS Jaakkola, WH Green, KF Jensen
ACS central science 3 (5), 434-443, 2017
A graph-convolutional neural network model for the prediction of chemical reactivity
CW Coley, W Jin, L Rogers, TF Jamison, TS Jaakkola, WH Green, ...
Chemical science 10 (2), 370-377, 2019
A robotic platform for flow synthesis of organic compounds informed by AI planning
CW Coley, DA Thomas III, JAM Lummiss, JN Jaworski, CP Breen, ...
Science 365 (6453), eaax1566, 2019
Machine learning in computer-aided synthesis planning
CW Coley, WH Green, KF Jensen
Accounts of chemical research 51 (5), 1281-1289, 2018
Detailed modeling of PAH and soot formation in a laminar premixed benzene/oxygen/argon low-pressure flame
H Richter, S Granata, WH Green, JB Howard
Proceedings of the Combustion Institute 30 (1), 1397-1405, 2005
Convolutional embedding of attributed molecular graphs for physical property prediction
CW Coley, R Barzilay, WH Green, TS Jaakkola, KF Jensen
Journal of chemical information and modeling 57 (8), 1757-1772, 2017
Comprehensive reaction mechanism for n-butanol pyrolysis and combustion
MR Harper, KM Van Geem, SP Pyl, GB Marin, WH Green
Combustion and Flame 158 (1), 16-41, 2011
High‐gradient magnetic separation of coated magnetic nanoparticles
GD Moeser, KA Roach, WH Green, T Alan Hatton, PE Laibinis
AIChE Journal 50 (11), 2835-2848, 2004
Rate-based construction of kinetic models for complex systems
RG Susnow, AM Dean, WH Green, P Peczak, LJ Broadbelt
The Journal of Physical Chemistry A 101 (20), 3731-3740, 1997
Intramolecular hydrogen migration in alkylperoxy and hydroperoxyalkylperoxy radicals: accurate treatment of hindered rotors
S Sharma, S Raman, WH Green
The Journal of Physical Chemistry A 114 (18), 5689-5701, 2010
SPECTRO: a spectroscopic analysis package
JF Gaw, A Willetts, WH Green, NC Handy
Advances in molecular vibrations and collision dynamics, 169, 1991
Computational investigation of thermochemistry and kinetics of steam methane reforming on Ni (111) under realistic conditions
DW Blaylock, T Ogura, WH Green, GJO Beran
The Journal of Physical Chemistry C 113 (12), 4898-4908, 2009
Optimally-reduced kinetic models: reaction elimination in large-scale kinetic mechanisms
B Bhattacharjee, DA Schwer, PI Barton, WH Green
Combustion and Flame 135 (3), 191-208, 2003
Role of O2 + QOOH in Low-Temperature Ignition of Propane. 1. Temperature and Pressure Dependent Rate Coefficients
CF Goldsmith, WH Green, SJ Klippenstein
The Journal of Physical Chemistry A 116 (13), 3325-3346, 2012
Using machine learning to predict suitable conditions for organic reactions
H Gao, TJ Struble, CW Coley, Y Wang, WH Green, KF Jensen
ACS central science 4 (11), 1465-1476, 2018
Computer-assisted retrosynthesis based on molecular similarity
CW Coley, L Rogers, WH Green, KF Jensen
ACS central science 3 (12), 1237-1245, 2017
Water-based magnetic fluids as extractants for synthetic organic compounds
GD Moeser, KA Roach, WH Green, PE Laibinis, TA Hatton
Industrial & Engineering Chemistry Research 41 (19), 4739-4749, 2002
Reactivity and stability investigation of supported molybdenum oxide catalysts for the hydrodeoxygenation (HDO) of m-cresol
M Shetty, K Murugappan, T Prasomsri, WH Green, Y Roman-Leshkov
Journal of Catalysis 331, 86-97, 2015
Dramatic solvent effects on the absolute rate constants for abstraction of the hydroxylic hydrogen atom from tert-butyl hydroperoxide and phenol by the cumyloxyl radical. The …
DV Avila, KU Ingold, J Lusztyk, WH Green, DR Procopio
Journal of the American Chemical Society 117 (10), 2929-2930, 1995
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