Hafizi, Roohollah, Glover, Joseph and Day, Graeme (2025) Supporting data for the journal article "Polar triptycene-based non-metal organic frameworks show enhanced hydrogen adsorption". University of Southampton doi:10.5258/SOTON/D3692 [Dataset]
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Abstract
Computer-generated crystal structures and catenation data for the journal article "Polar triptycene-based non-metal organic frameworks show enhanced hydrogen adsorption"
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Published date: 2025
Keywords:
crystal structure prediction, monte carlo, machine learning interatomic potentials, non metal organic frameworks, porous organic salts, density functional theory
Identifiers
Local EPrints ID: 505542
URI: http://eprints.soton.ac.uk/id/eprint/505542
PURE UUID: e4120971-2b88-4ba2-bbad-12fc74abe0a8
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Date deposited: 13 Oct 2025 16:53
Last modified: 14 Oct 2025 02:04
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Contributors
Creator:
Roohollah Hafizi
Creator:
Joseph Glover
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