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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Aug-2023 | /slab relaxcell_CoMnOx | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -549.74430145; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/C2H4 Mntophy | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -582.02486153; eV | |||
| 6-Sep-2023 | /adsorption/Co/C2H4 hcp+top | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -470.12525114; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/C OtoCO | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -556.15108897; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/CO fcctotop2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -566.38811466; 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 | /NEB/Co(0001) CH+HtoCH2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 08 2021 10:22:21) complex | Geometry optimization | DFT | - | -453.63773950; eV | |||
| 6-Sep-2023 | /adsorption/Co/CH2 fcc | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -453.19909250; 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 |
Results 1-10 of 907 (Search time: 0.001 seconds).