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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Aug-2018 | /ads_sn2_Co2_Cu2 is | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -489.06121599; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 128 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.58212002; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 133 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.58386728; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 126 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.38872263; eV | |||
| 22-Aug-2018 | /ads_sn2_Cu111 oh | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -234.50231155; eV | |||
| 22-Aug-2018 | /xps/Cu111 1 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -509.62420424; eV | |||
| 22-Aug-2018 | /gas_opt oh | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | DFT | - | -7.08120005; eV | |||
| 22-Aug-2018 | /slabs_opt slab_Co_Cu1 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -433.98136627; eV | |||
| 22-Aug-2018 | /slabs_opt slab_Co_Cu3 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -623.08327378; eV | |||
| 22-Aug-2018 | /ads_sn2_Co_Cu2 sn2 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -580.08914157; eV |
Results 21-30 of 403 (Search time: 0.308 seconds).