William H. Green

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Klavs F.JensenChemical Engineering, MITAdresse e-mail validée de mit.edu
Connor W. ColeyMassachusetts Institute of TechnologyAdresse e-mail validée de mit.edu
kevin van geemuniversiteit gentAdresse e-mail validée de ugent.be
Richard H. WestAssociate Professor of Chemical Engineering, Northeastern UniversityAdresse e-mail validée de northeastern.edu
Shamel MerchantMassachusetts Institute of TechnologyAdresse e-mail validée de mit.edu
Guy B. MarinProfessor Emeritus in Chemical Reaction Engineering, Ghent UniversityAdresse e-mail validée de ugent.be
Colin A. GrambowGenentechAdresse e-mail validée de gene.com
Connie W. GaoMassachusetts Institute of TechnologyAdresse e-mail validée de mit.edu
Paul I BartonLammot du Pont Professor, MITAdresse e-mail validée de mit.edu
Amrit JalanEni S.p.A.Adresse e-mail validée de alum.mit.edu
Alon Grinberg DanaAssistant Professor, Technion - Israel Institute of TechnologyAdresse e-mail validée de technion.ac.il
Zachary J. (Buras) AlbertiProcess Engineer, IntelAdresse e-mail validée de intel.com
Luke RogersV.P. of Innovation, On Demand PharmaceuticalsAdresse e-mail validée de tcd.ie
Hsi-Wu WongAssociate Professor of Chemical Engineering at University of Massachusetts LowellAdresse e-mail validée de uml.edu
Luwi OluwoleAdresse e-mail validée de alum.mit.edu
Anthony M DeanColorado School of Mines (retired)Adresse e-mail validée de mines.edu
Michael TimkoWorcester Polytechnic InstituteAdresse e-mail validée de wpi.edu
Yuriy Román-LeshkovProfessor of Chemical Engineering, MITAdresse e-mail validée de mit.edu
Yi-Pei LiNational Taiwan UniversityAdresse e-mail validée de ntu.edu.tw
Kehang HanGoogle DeepMindAdresse e-mail validée de google.com

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William H. Green

Hoyt C. Hottel Professor of Chemical Engineering, MIT

Adresse e-mail validée de mit.edu - Page d'accueil

Kinetics Reaction Networks Energy Numerics & Machine Learning


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	854	2019
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms CW Gao, JW Allen, WH Green, RH West Computer Physics Communications 203, 212-225, 2016	762	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	736	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	702	2019
Machine learning in computer-aided synthesis planning CW Coley, WH Green, KF Jensen Accounts of chemical research 51 (5), 1281-1289, 2018	656	2018
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	484	2017
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	419	2005
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	367	2018
Computer-assisted retrosynthesis based on molecular similarity CW Coley, L Rogers, WH Green, KF Jensen ACS central science 3 (12), 1237-1245, 2017	360	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	351	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	315	2004
SPECTRO: a spectroscopic analysis package JF Gaw, A Willetts, WH Green, NC Handy Advances in molecular vibrations and collision dynamics, 169, 1991	308*	1991
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	307	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	306	2010
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	297	2018
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	295	2009
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	290	2012
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	259	2003
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	255	2015
Reaction mechanism generator v3. 0: advances in automatic mechanism generation M Liu, A Grinberg Dana, MS Johnson, MJ Goldman, A Jocher, AM Payne, ... Journal of Chemical Information and Modeling 61 (6), 2686-2696, 2021	240	2021

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