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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_Co_OH2 ch3oh | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -880.53390917; eV | |||
 | 22-Aug-2018 | /ads_Co_OH2 slab | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -850.24247231; eV | |||
 | 22-Aug-2018 | /ads_sn2_Co_Cu1 bh3nh3 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -471.81884776; eV | |||
 | 22-Aug-2018 | /ads_sn2_Co_Cu1 bh3oh | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -463.07944273; eV | |||
 | 22-Aug-2018 | /ads_sn2_Co2_Cu2 sn2 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -488.29130177; eV | |||
 | 22-Aug-2018 | /ads_sn2_Co2_Cu2 bh3nh3 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -476.15263213; eV | |||
 | 22-Aug-2018 | /ads_sn2_Co_Cu1 fs | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -485.62087589; eV | |||
 | 22-Aug-2018 | /ads_sn2_Co_Cu2 slab | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -531.05509024; eV | |||
 | 22-Aug-2018 | /ads_sn2_Co_Cu3 bh3oh | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -673.59294122; eV | |||
 | 22-Aug-2018 | /ads_sn2_Co_Cu3 bh3nh3 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -660.76115711; eV |
Results 391-400 of 403 (Search time: 0.001 seconds).