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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/MnO/CH2 o | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -512.76866319; eV | |||
| 6-Sep-2023 | /adsorption/MnO/CH brg | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -506.82613297; eV | |||
| 6-Sep-2023 | /adsorption/MnO/CO m | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -510.00155309; eV | |||
| 6-Sep-2023 | /adsorption/MnO/CH m | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -506.73290143; eV | |||
| 6-Sep-2023 | /adsorption/MnO/CO o | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -510.01480790; eV | |||
| 6-Sep-2023 | /adsorption/MnO/CH o | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -508.53327053; eV | |||
| 6-Sep-2023 | /adsorption/MnO m | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -500.64923981; eV | |||
| 6-Sep-2023 | /adsorption/MnO o | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -500.98287790; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/H hcptofcc_Co | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -553.63806868; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/H fcctohcp_Co | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -553.59599441; eV |
Results 931-940 of 980 (Search time: 0.001 seconds).