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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Sep-2023 | /adsorption/CoMnO/H 5O_I | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -560.75838994; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/O top2tobrg | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -557.01628157; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/H 5O_F | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -561.08953808; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/O Otosub | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -556.52273192; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/O Mntobrg | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -557.01906259; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/O fcc | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -557.04953221; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/H Mn | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -551.76809488; eV | |||
| 6-Sep-2023 | /slab Co12Mn4O3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -541.30907812; eV | |||
| 6-Sep-2023 | /slab Co | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -436.90819057; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/CH2 top2tofcc_Co | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -565.91880697; eV |
Results 941-950 of 980 (Search time: 0.001 seconds).