Supporting molecular data for High rate nanofluidic energy absorption in porous zeolitic frameworks
Description
Supplementary data containing relevant structural information for the manuscript 'High rate nanofluidic energy absorption in porous zeolitic frameworks'. This repository contains the optimized ZIF-8 structure relevant structures of the force-field MD simulations of water intrusion in ZIF-8, containing at least the initial and final configurations relevant structures of the ab initio MD simulations of the swing angle distribution in ZIF-8, containing the initial and final configurations Please also refer to https://github.com/SvenRogge/supporting-info for additional input scripts to reproduce these results.
Resources
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http://data.europa.eu/88u/dataset/oai-zenodo-org-4534252 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-4534252 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-4534252 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-4534252 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-4534252 |
Tags
- molecular-dynamics
- zeolitic-imidazolate-frameworks
- metal-organic-frameworks
- liquid-water-intrusion