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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/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 | |||
| 6-Sep-2023 | /adsorption/CoMnO/C2H4 top2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -582.87826344; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/CH2 hcp_Co | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -566.00109170; eV | |||
| 6-Sep-2023 | /NEB/Co(0001) CH2+CH2toC2H4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -469.58787190; 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 | /NEB/Co(0001) CH2+HtoCH3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -457.14900527; 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/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/H top | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -440.28031468; eV | |||
| 6-Sep-2023 | /adsorption/CoMnO/C top2tobrg_sub | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -558.24307536; eV |
Results 21-30 of 980 (Search time: 0.001 seconds).