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zenodoopen

Dataset of simulations of SmartDeZIgn

<p>This table contains the results of simulations of SmartDeZIgn project. More analytically:</p> <p>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</p>

ShareScore

40/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
16
Reuse readiness
8
Engagement
4

Topics

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