Atomic structures and orbital energies of 61,489 crystal-forming organic molecules. Stuke, A., Kunkel, C., Golze, D., Todorović, M., Margraf, J. T, Reuter, K., Rinke, P., & Oberhofer, H. Scientific data, 7(1):58, Nature Publishing Group UK London, 2020.
bibtex   
@article{stuke2020atomic,
  title={Atomic structures and orbital energies of 61,489 crystal-forming organic molecules},
  author={Stuke, Annika and Kunkel, Christian and Golze, Dorothea and Todorovi{\'c}, Milica and Margraf, Johannes T and Reuter, Karsten and Rinke, Patrick and Oberhofer, Harald},
  journal={Scientific data},
  volume={7},
  number={1},
  pages={58},
  year={2020},
  publisher={Nature Publishing Group UK London}
}

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