Published November 13, 2025 | Version v1

DFT data, MD data, and videos for: The dynamics of stacking in layered covalent organic frameworks

  • 1. ROR icon Graz University of Technology

Description

Dataset for the journal publication:

The dynamics of stacking in layered covalent organic frameworks
Monatshefte für Chemie - Chemical Monthly
DOI: https://doi.org/10.1007/s00706-025-03412-7

The dataset contains videos (Animations.zip) and DFT data and MD data (Calculations.zip). 
For a more detailed description of the data, we refer to the file readme.pdf.  

Files

readme.pdf

Files (19.8 GB)

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md5:6d8a86f0e0cfbdbb85afb542c056ec74
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Additional details

Related works

Is supplement to
Publication: 10.1007/s00706-025-03412-7 (DOI)

Funding

Graz University of Technology
Lead Project Porous Materials @ Work for Sustainability LP-03