Lanthanide trimers
DFT calculations for homo- and heterometallic lanthanide trimers.
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The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-227
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-227
This dataset derived results are published in:
Manuscript title: Unparalleled selectivity and electronic structure of heterometallic [LnLn’Ln] molecules as 3-qubit quantum gates
Journal: Chem. Sci.
DOI: 10.1039/D2SC00436D
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