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. |
---|---|---|---|---|---|---|---|---|---|---|---|
17-Oct-2017 | /Adsorption/ni/3x3/h t | Li, Qiang | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -197.52498049; eV | ||||
17-Oct-2017 | /Adsorption/ni/3x3/h f_l | Li, Qiang | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -199.23005311; eV | ||||
17-Oct-2017 | /Adsorption/ni/3x3/h h | Li, Qiang | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -199.21066646; eV | ||||
17-Oct-2017 | /Adsorption/ni/3x3/co f | Li, Qiang | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -212.06239067; eV | ||||
17-Oct-2017 | /Adsorption/ni/3x3/h b | Li, Qiang | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -199.07720965; eV | ||||
17-Oct-2017 | /Adsorption/ni/3x3/co h_l | Li, Qiang | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -212.07414407; eV | ||||
17-Oct-2017 | /Adsorption/ni/3x3/co b | Li, Qiang | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -211.97394908; eV | ||||
17-Oct-2017 | /Adsorption/ni/3x3/co t | Li, Qiang | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -211.72440100; eV | ||||
17-Oct-2017 | /Adsorption/ni/4x4 ethylbenzene | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -359.19469764; eV | ||||
17-Oct-2017 | /Adsorption/ni/4x4 slab | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -334.36764683; eV |
Results 1-10 of 103 (Search time: 0.001 seconds).
Discover
Program name
- 103 vasp