Ananyev, Ivan; Pidko, Evgeny (2020): Intermolecular contacts for 224 001 molecular crystals from Cambridge Structural Database. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/uuid:33c65813-e9ef-41f1-910c-660d18ecf097

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Categories

• Physical Chemistry (incl. Structural)
• Theoretical and Computational Chemistry

Keywords

Cambridge Structural Database (CSD) CSD intermolecular contacts molecular crystals

Licence

CC0

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by Ivan Ananyev , Evgeny Pidko

The dataset consists of 96 enumerated csv-files with data on all intermolecular contacts shorter than 7 Å for 224 001 CSD entries analyzed in the corresponding work on van der Waals radii

History

• 2020-01-08 first online, published, posted

Publisher

4TU.Centre for Research Data

Format

media types: application/zip, text/csv, text/plain

References

• https://doi.org/10.1002/cphc.201901083

Organizations

TU Delft, Faculty of Applied Sciences, Department of Chemical Engineering