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

Dataset for the journal publication:

The dynamics of stacking in layered covalent organic frameworksMonatshefte für Chemie - Chemical MonthlyDOI: 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.

本数据集用于支持期刊论文《层状共价有机框架的堆叠动力学》（The dynamics of stacking in layered covalent organic frameworks）的发表，该论文刊载于《Monatshefte für Chemie - Chemical Monthly（化学月刊）》，DOI：https://doi.org/10.1007/s00706-025-03412-7。
本数据集包含视频文件（压缩包Animations.zip）以及密度泛函理论（Density Functional Theory，DFT）数据与分子动力学（Molecular Dynamics，MD）数据（压缩包Calculations.zip）。如需了解数据的详细说明，请参阅readme.pdf文件。