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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Jan-2020 | /Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/ZPE H2O | Zhou, Yecheng | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -14.22287685; eV | |||
 | 8-Jan-2020 | /Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/ZPE O2 | Zhou, Yecheng | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -9.85825835; eV | |||
 | 8-Jan-2020 | /Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/ZPE H2 | Zhou, Yecheng | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -6.77313919; eV |
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