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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/CO Mn | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -564.80975334; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/H O | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -553.49126786; 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/Co/C2H4 from2CH2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -470.12287909; eV | |||
| 6-Sep-2023 | /adsorption/Co/C2H4 brg | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -469.63212074; eV | |||
| 6-Sep-2023 | /adsorption/Co/C2H4 top | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -469.99372978; 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 | /adsorption/Co/CH2 hcp | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -453.25576713; eV | |||
| 6-Sep-2023 | /adsorption/Co/C top | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -443.22529210; eV | |||
| 6-Sep-2023 | /adsorption/Co/C hcp | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -445.37767616; eV |
Results 891-900 of 980 (Search time: 0.001 seconds).