The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-336

This dataset derived results are published in:

Manuscript title: In Silico Design and Characterization of a New Molecular Electride: Li@Calix[3]Pyrrole

Journal: Chem. Eur. J.

DOI: 10.1002/chem.202400448

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    • ROOT
      • EDA
      • NBO
      • NLO_props
      • Opt