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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
18-Aug-2022 | /CO2_reduction/alloy ZnCu | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -698.29802690; eV | ||||
27-Aug-2022 | /Stepped_Cu_structure stepped_Cu(332) | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -704.70190782; eV |
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