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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_2_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -119.28250675; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_2_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -120.96124582; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_5_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -43.59338413; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_5_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -43.59333584; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_5_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -44.06844298; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_2_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -66.51883513; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_1_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -70.79432595; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_1_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -72.35369429; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/100 POSCAR_5_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -45.38160542; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/100 POSCAR_2_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -64.55093457; eV |
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