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William H. Green
William H. Green
Hoyt C. Hottel Professor of Chemical Engineering, MIT
mit.edu의 이메일 확인됨 - 홈페이지
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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
7602019
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms
CW Gao, JW Allen, WH Green, RH West
Computer Physics Communications 203, 212-225, 2016
7092016
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
6942017
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
6462019
Machine learning in computer-aided synthesis planning
CW Coley, WH Green, KF Jensen
Accounts of chemical research 51 (5), 1281-1289, 2018
6102018
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
4422017
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
4122005
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
3472011
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
3392018
Computer-assisted retrosynthesis based on molecular similarity
CW Coley, L Rogers, WH Green, KF Jensen
ACS central science 3 (12), 1237-1245, 2017
3332017
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
3112004
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
3011997
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
2982010
SPECTRO: a spectroscopic analysis package
JF Gaw, A Willetts, WH Green, NC Handy
Advances in molecular vibrations and collision dynamics, 169, 1991
297*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
2902009
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
2732012
SCScore: synthetic complexity learned from a reaction corpus
CW Coley, L Rogers, WH Green, KF Jensen
Journal of chemical information and modeling 58 (2), 252-261, 2018
2642018
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
2512003
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
2442015
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
2252002
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