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-Aug-2018 | /ads_sn2_Cu111 ch3oh | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -254.27115700; eV | ||||
22-Aug-2018 | /ads_sn2_Cu111 bh3nh3 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -261.30172611; eV | ||||
22-Aug-2018 | /ads_sn2_Co2_Cu2 fs | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -489.24242835; eV | ||||
22-Aug-2018 | /ads_sn2_Co_Cu3 ch3oh | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -653.70856852; eV | ||||
22-Aug-2018 | /ads_sn2_Co_Cu3 is | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -673.09345274; eV | ||||
22-Aug-2018 | /ads_sn2_Co_Cu3 sn2 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -672.14012102; eV | ||||
22-Aug-2018 | /ads_sn2_Co_Cu3 slab | 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_Co2_Cu2 ch3oh | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -469.13083049; eV | ||||
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 | /ads_sn2_Co_Cu2 is | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -580.98453164; eV |
Results 1-10 of 89 (Search time: 0.002 seconds).