Dataset of simulations of SmartDeZIgn
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This table contains the results of simulations of SmartDeZIgn project. More analytically: Structural characteristics for each ZIF of our dataset the were used as descriptors to train Machine Learning models. Moreover, calculated diffusivities, solubilities and permeabilities of He, H2, O2, CO2, N2, CH4, ethylene, ethane, propylene, propane, n-butane and iso-butane in each of the ZIFs of the dataset
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Zenodo创建时间：
2022-06-17
