| Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms CW Gao, JW Allen, WH Green, RH West Computer Physics Communications 203, 212-225, 2016 | 731 | 2016 |
| 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 | 217 | 2021 |
| A statistical approach to develop a detailed soot growth model using PAH characteristics A Raj, M Celnik, R Shirley, M Sander, R Patterson, R West, M Kraft Combustion and Flame 156 (4), 896-913, 2009 | 159 | 2009 |
| Modelling soot formation in a premixed flame using an aromatic-site soot model and an improved oxidation rate MS Celnik, M Sander, A Raj, RH West, M Kraft Proceedings of the Combustion Institute 32 (1), 639-646, 2009 | 145 | 2009 |
| Automatic mechanism and kinetic model generation for gas‐and solution‐phase processes: a perspective on best practices, recent advances, and future challenges R Van de Vijver, NM Vandewiele, PL Bhoorasingh, BL Slakman, ... International Journal of Chemical Kinetics 47 (4), 199-231, 2015 | 137 | 2015 |
| Aromatic site description of soot particles M Celnik, A Raj, R West, R Patterson, M Kraft Combustion and Flame 155 (1-2), 161-180, 2008 | 116 | 2008 |
| Automatic generation of microkinetic mechanisms for heterogeneous catalysis CF Goldsmith, RH West The Journal of Physical Chemistry C 121 (18), 9970-9981, 2017 | 112 | 2017 |
| Toward a Comprehensive Model of the Synthesis of TiO2 particles from TiCl4 RH West, MS Celnik, OR Inderwildi, M Kraft, GJO Beran, WH Green Industrial & Engineering Chemistry Research 46 (19), 6147–6156, 2007 | 112 | 2007 |
| First-Principles Thermochemistry for the Production of TiO2 from TiCl4 RH West, GJO Beran, WH Green, M Kraft The Journal of Physical Chemistry A 111 (18), 3560-3565, 2007 | 97 | 2007 |
| A detailed model for the sintering of polydispersed nanoparticle agglomerates M Sander, RH West, MS Celnik, M Kraft Aerosol Science and Technology 43 (10), 978-989, 2009 | 93 | 2009 |
| RMG - Reaction Mechanism Generator (open source software), 2009-2013 JW Allen, RW Ashcraft, GJ Beran, CF Goldsmith, MR Harper, A Jalan, ... | 92* | 2010 |
| Predicting solvation energies for kinetic modeling A Jalan, RW Ashcraft, RH West, WH Green Annual Reports Section" C"(Physical Chemistry) 106, 211-258, 2010 | 83 | 2010 |
| Automated transition state theory calculations for high-throughput kinetics PL Bhoorasingh, BL Slakman, F Seyedzadeh Khanshan, JY Cain, ... The Journal of Physical Chemistry A 121 (37), 6896-6904, 2017 | 77 | 2017 |
| A detailed kinetic model for combustion synthesis of titania from TiCl4 RH West, RA Shirley, M Kraft, CF Goldsmith, WH Green Combustion and Flame 156 (9), 1764-1770, 2009 | 74 | 2009 |
| RMG database for chemical property prediction MS Johnson, X Dong, A Grinberg Dana, Y Chung, D Farina Jr, RJ Gillis, ... Journal of Chemical Information and Modeling 62 (20), 4906-4915, 2022 | 66 | 2022 |
| Transition state geometry prediction using molecular group contributions PL Bhoorasingh, RH West Physical Chemistry Chemical Physics 17 (48), 32173-32182, 2015 | 64 | 2015 |
| Teaching and learning with Jupyter LA Barba, LJ Barker, DS Blank, J Brown, AB Downey, T George, ... https://jupyter4edu.github.io/jupyter-edu-book/, 1-77, 2019 | 56 | 2019 |
| First-Principles Thermochemistry for Silicon Species in the Decomposition of Tetraethoxysilane W Phadungsukanan, S Shekar, R Shirley, M Sander, RH West, M Kraft Cambridge Center for Computational Chemical Engineering preprint series, 2009 | 56 | 2009 |
| An extensible framework for capturing solvent effects in computer generated kinetic models A Jalan, RH West, WH Green The Journal of Physical Chemistry B 117 (10), 2955-2970, 2013 | 47 | 2013 |
| Developing detailed kinetic models of syngas production from bio-oil gasification using Reaction Mechanism Generator (RMG) FS Khanshan, RH West Fuel 163, 25-33, 2016 | 43 | 2016 |
William H. GreenHoyt C. Hottel Professor of Chemical Engineering, MITVerified email at mit.edu
