William H. Green
William H. Green
Hoyt C. Hottel Professor of Chemical Engineering, MIT
Verifierad e-postadress på mit.edu - Startsida
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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
3572005
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms
CW Gao, JW Allen, WH Green, RH West
Computer Physics Communications 203, 212-225, 2016
3262016
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
3202017
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
2662011
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
2642004
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
2531997
Machine learning in computer-aided synthesis planning
CW Coley, WH Green, KF Jensen
Accounts of chemical research 51 (5), 1281-1289, 2018
2352018
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
2302019
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
2292003
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
2282009
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
2272010
SPECTRO: a spectroscopic analysis package
JF Gaw, A Willetts, WH Green, NC Handy
Advances in molecular vibrations and collision dynamics, 169, 1991
209*1991
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
2042002
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
2041995
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
1932012
A robotic platform for flow synthesis of organic compounds informed by AI planning
CW Coley, DA Thomas, JAM Lummiss, JN Jaworski, CP Breen, V Schultz, ...
Science 365 (6453), 2019
1902019
Transition states and rate constants for unimolecular reactions
WH Green Jr, CB Moore, WF Polik
Annual Review of Physical Chemistry 43 (1), 591-626, 1992
1831992
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
1822017
Formation of polycyclic aromatic hydrocarbons and their radicals in a nearly sooting premixed benzene flame
H Richter, TG Benish, OA Mazyar, WH Green, JB Howard
Proceedings of the Combustion Institute 28 (2), 2609-2618, 2000
1752000
Bond breaking without barriers: Photofragmentation of ketene at the singlet threshold
IC Chen, WH Green Jr, CB Moore
The Journal of chemical physics 89 (1), 314-328, 1988
1701988
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Artiklar 1–20