Search
Add filters:
Use filters to refine the search results.
Item hits:
| 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/11/211 POSCAR_1_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -201.84914505; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/211 POSCAR_13_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -116.45834830; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_8_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -77.42454135; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_7_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -84.50961151; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_2_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -121.00378437; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_1_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -127.65092843; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_1_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -126.64240936; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_4_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -49.12682882; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_5_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -43.50436523; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_5_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -44.06858635; eV |
Results 2381-2390 of 6322 (Search time: 0.002 seconds).
Discover
Calculation type
Method
- 878 DFT