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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
7-Jul-2023 | AgCu_NOH_ts | Li, Hsien-Chin | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Frequencies | DFT | - | -118.33162095; eV | ||||
7-Jul-2023 | AgCu_ts_fr | Li, Hsien-Chin | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Frequencies | DFT | - | -117.58039127; eV | ||||
7-Jul-2023 | AgCu_NH2_ts_fr | Li, Hsien-Chin | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Frequencies | DFT | - | -117.58039127; eV |
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