Advances, updates, and analytics for the computation-ready, experimental metal–organic framework database: CoRE MOF 2019 YG Chung, E Haldoupis, BJ Bucior, M Haranczyk, S Lee, H Zhang, ... Journal of Chemical & Engineering Data 64 (12), 5985-5998, 2019 | 478 | 2019 |
In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm YG Chung, DA Gómez-Gualdrón, P Li, KT Leperi, P Deria, H Zhang, ... Science advances 2 (10), e1600909, 2016 | 269 | 2016 |
A thermodynamic tank model for studying the effect of higher hydrocarbons on natural gas storage in metal–organic frameworks H Zhang, P Deria, OK Farha, JT Hupp, RQ Snurr Energy & Environmental Science 8 (5), 1501-1510, 2015 | 106 | 2015 |
Computational study of water adsorption in the hydrophobic metal–organic framework ZIF-8: adsorption mechanism and acceleration of the simulations H Zhang, RQ Snurr The Journal of Physical Chemistry C 121 (43), 24000-24010, 2017 | 70 | 2017 |
Computational screening of nanoporous materials for hexane and heptane isomer separation YG Chung, P Bai, M Haranczyk, KT Leperi, P Li, H Zhang, TC Wang, ... Chemistry of Materials 29 (15), 6315-6328, 2017 | 65 | 2017 |
A MOF platform for incorporation of complementary organic motifs for CO 2 binding P Deria, S Li, H Zhang, RQ Snurr, JT Hupp, OK Farha Chemical communications 51 (62), 12478-12481, 2015 | 55 | 2015 |
Diffusion of methane and other alkanes in metal-organic frameworks for natural gas storage B Borah, H Zhang, RQ Snurr Chemical Engineering Science 124, 135-143, 2015 | 49 | 2015 |
Molecular Modeling of Carbon Dioxide Adsorption in Metal-Organic Frameworks H Zhang, BJ Bucior, RQ Snurr Molecular Modelling of Micro-Porous and Meso-Porous Materials and Their …, 2017 | 11 | 2017 |
Computation-Ready Experimental Metal-Organic Framework (CoRE MOF) 2019 Dataset YG Chung, E Haldoupis, BJ Bucior, M Haranczyk, S Lee, KD Vogiatzis, ... Zenodo https://doi. org/10.5281/zenodo 3528250, 2019 | 7 | 2019 |
Molecular Modeling of Adsorption of CO2 and Water in Hydrophobic Metal-Organic Frameworks R Snurr, PZ Moghadam, H Zhang 2017 AIChE Annual Meeting, 2017 | | 2017 |
Computational screening of metal-organic frameworks for hydrogen and natural gas storage DA Gomez-Gualdron, B Borah, H Zhang, YJ Colon, RQ Snurr ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | | 2014 |
Computational Study of Water Adsorption in the Hydrophobic Metal-Organic Framework H Zhang, RQ Snurr | | |