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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Feb-2024 | adsorbed_(13)CO2_on_Cu | Zhang, Zhiming | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 01 2020 22:07:39) complex | Frequencies | DFT | - | -1227.68669176; eV | |||
| 14-Feb-2024 | adsorbed CO2 on Cu | Zhang, Zhiming | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 01 2020 22:07:39) complex | Frequencies | DFT | - | -1227.68670587; eV | |||
 | 13-Feb-2024 | shell | Zhang, Zhiming | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 01 2020 22:07:39) complex | Frequencies | DFT | - | -1227.68266573; eV |
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