Published November 28, 2020
| Version v1
Journal article
Open
Effect of Guest Molecules on the Stacking Configuration of Covalent Organic Frameworks: A Periodic Energy Decomposition Analysis
Description
Raw data for our recent study that explores the effect of guest molecules on the stacking configuration of covalent organic frameworks, wherein COF-1 is used as a case study. The data contains energies, displacement coordinates for all the 6651 sampled points. More details on the study can found in the full version of the paper.
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