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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_9_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -69.21501196; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_9_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -69.35675511; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_9_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -69.34206459; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_8_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -77.42454025; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_8_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -75.27963287; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_7_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -84.30060795; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_8_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -76.47251048; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_7_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -82.95036310; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_3_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -112.25603194; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_2_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -120.07940224; eV |
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