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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Mar-2023 | /ini_data_source/Cu2O/surfMD 100 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -76.82913744; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/surface_MD 300K_8layers_111 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -469.94050981; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/surface_MD 300K_5layers_111 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -287.38205184; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/surface_MD 300K_5layers_211 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -214.14798386; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/surface_MD 300K_8layers_110 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -226.76961234; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/surface_MD 300K_8layers_100 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -231.65537889; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/surface_MD 300K_5layers_110 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -136.34525334; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 300K_hcp2_333 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -203.89208318; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu2O/bulk 222_1550K | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -204.76328784; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu2O/bulk 111_1550K | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -26.80728587; eV |
Results 31-40 of 73 (Search time: 0.002 seconds).