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/Cu/bulk_MD 700K_hcp1_444 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -952.41419905; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 700K_hcp2_444 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -478.59859147; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 700K_hcp1_333 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -403.46110577; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 700K_hcp2_333 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -202.90428331; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 700K_hcp2_222 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -60.04858633; 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_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/surface_MD 300K_5layers_100 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -141.51643462; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/surface_MD 700K_5layers_110 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -134.45842387; eV |
Results 11-20 of 73 (Search time: 0.001 seconds).