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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/adO/110 POSCAR_4_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -109.23064075; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/110 POSCAR_3_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -116.00835944; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/110 POSCAR_2_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -122.39439690; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/110 POSCAR_1_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -128.92460955; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/110 POSCAR_1_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -129.14052370; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/110 POSCAR_1_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -128.74143597; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/100 POSCAR_4_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -149.37355495; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/100 POSCAR_4_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -149.37464967; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/100 POSCAR_4_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -149.37520779; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/adO/100 POSCAR_2_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -162.15584687; eV |
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