Published November 13, 2025
| Version v1
Dataset
Open
DFT data, MD data, and videos for: The dynamics of stacking in layered covalent organic frameworks
Authors/Creators
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
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