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DOI: 10.19061/iochem-bd-1-122
This dataset derived results are published in:
Manuscript title: Atom‐by‐Atom Resolution of Structure‐Function Relations over Low‐Nuclearity Metal Catalysts
Journal: Angew. Chem. Int. Ed.
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- ROOT
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Program name
- 1463 vasp
Calculation type
- 1431 Single point
- 31 Geometry optimization
- 1 N/A
Method
- 1463 DFT