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Please use this identifier to cite or link to this collection:
DOI: 10.19061/iochem-bd-1-251
This dataset derived results are published in:
Manuscript title: Key intermediates and Cu active sites for CO2 electroreduction to ethylene and ethanol
Journal: Nat. Energy
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- ROOT
- DOS
- frequencies
- isotope-exchange
- redCO2
- solvation
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Subject
Program name
- 685 vasp
Calculation type
- 478 Geometry optimization
- 207 Frequencies
Method
- 685 DFT