| 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 | 254 | 2021 |
| Solar-induced direct biomass-to-electricity hybrid fuel cell using polyoxometalates as photocatalyst and charge carrier W Liu, W Mu, M Liu, X Zhang, H Cai, Y Deng Nature communications 5 (1), 3208, 2014 | 195 | 2014 |
| 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 | 88 | 2022 |
| Modeling of aromatics formation in fuel-rich methane oxy-combustion with an automatically generated pressure-dependent mechanism TC Chu, ZJ Buras, P Oßwald, M Liu, MJ Goldman, WH Green Physical Chemistry Chemical Physics 21 (2), 813-832, 2019 | 44 | 2019 |
| Merging enzymatic and synthetic chemistry with computational synthesis planning I Levin, M Liu, CA Voigt, CW Coley Nature Communications 13 (1), 7747, 2022 | 41 | 2022 |
| Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software AG Dana, MS Johnson, JW Allen, S Sharma, S Raman, M Liu, CW Gao, ... International Journal of Chemical Kinetics 55 (6), 300-323, 2023 | 38 | 2023 |
| Automatic mechanism generation for pyrolysis of di-tert-butyl sulfide CA Class, M Liu, AG Vandeputte, WH Green Physical Chemistry Chemical Physics 18 (31), 21651-21658, 2016 | 37 | 2016 |
| Uncertainty analysis of correlated parameters in automated reaction mechanism generation CW Gao, M Liu, WH Green International Journal of Chemical Kinetics 52 (4), 266-282, 2020 | 25 | 2020 |
| Chemistry of alkylaromatics reconsidered L Lai, S Gudiyella, M Liu, WH Green Energy & Fuels 32 (4), 5489-5500, 2018 | 20 | 2018 |
| Detailed kinetic modeling for the pyrolysis of a jet a surrogate FH Vermeire, SU Aravindakshan, A Jocher, M Liu, TC Chu, RE Hawtof, ... Energy & Fuels 36 (3), 1304-1315, 2022 | 18 | 2022 |
| Predicting polycyclic aromatic hydrocarbon formation with an automatically generated mechanism for acetylene pyrolysis M Liu, TC Chu, A Jocher, MC Smith, I Lengyel, WH Green International Journal of Chemical Kinetics 53 (1), 27-42, 2021 | 16 | 2021 |
| Theoretical study on the HACA chemistry of naphthalenyl radicals and acetylene: The formation of C12H8, C14H8, and C14H10 species TC Chu, MC Smith, J Yang, M Liu, WH Green International Journal of Chemical Kinetics 52 (11), 752-768, 2020 | 14 | 2020 |
| Capturing aromaticity in automatic mechanism generation software M Liu, WH Green Proceedings of the Combustion Institute 37 (1), 575-581, 2019 | 13 | 2019 |
| Automated chemical resonance generation and structure filtration for kinetic modeling A Grinberg Dana, M Liu, WH Green International Journal of Chemical Kinetics 51 (10), 760-776, 2019 | 12 | 2019 |
| Direct kinetics and product measurement of phenyl radical+ ethylene TC Chu, ZJ Buras, B Eyob, MC Smith, M Liu, WH Green The Journal of Physical Chemistry A 124 (12), 2352-2365, 2020 | 11 | 2020 |
| Species selection for automatic chemical kinetic mechanism generation MS Johnson, HW Pang, M Liu, WH Green International Journal of Chemical Kinetics 57 (2), 93-107, 2025 | 9 | 2025 |
| Scalability strategies for automated reaction mechanism generation A Jocher, NM Vandewiele, K Han, M Liu, CW Gao, RJ Gillis, WH Green Computers & Chemical Engineering 131, 106578, 2019 | 9 | 2019 |
| ARC-automated rate calculator, version 1.1. 0 A Grinberg Dana, D Ranasinghe, H Wu, C Grambow, X Dong, M Johnson, ... Zenodo https://doi. org/10.5281/zenodo 3356849, 2019 | 8 | 2019 |
| Arc-automated rate calculator, version 1.1. 0 AG Dana, D Ranasinghe, H Wu, C Grambow, X Dong, M Johnson, ... DOI: 10.5281/zenodo 3356849, 2019 | 6 | 2019 |
| ARC-Automated Rate Calculator A Grinberg Dana, D Ranasinghe, H Wu, C Grambow, X Dong, M Johnson, ... version 1 (0), 2019 | 5 | 2019 |
William H. GreenHoyt C. Hottel Professor of Chemical Engineering, MITยืนยันอีเมลแล้วที่ mit.edu