Published 2023 | Version v3
Dataset Open

QM9-extended-plus database

Creators

  • 1. Military University of Technology, Warsaw, Poland
  • 2. Silesian University of Technology, Gliwice, Poland; University of Birmingham, Birmingham, United Kingdom

Description

QM9-extended database was further extended with 1781 compounds containing chlorine atoms and 2020 compounds containing bromine atoms.

Notes

License CC-BY-NC-SA. The database is connected with the following articles:

https://doi.org/10.1016/j.jmgm.2023.108584

https://doi.org/10.26434/chemrxiv-2023-pcbrw

Files

qm_ext_plus.csv

Files (19.5 MB)

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md5:6071cbe0ac80440fa96e7730a7f8ff2d
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