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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Jun-2017 | Pt311_1HCl4Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -117.03657921; eV | |||
 | 12-Jun-2017 | Pt111_1HCl9Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -284.98616981; eV | |||
 | 12-Jun-2017 | Pt511_2HCl3Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -97.78335196; eV | |||
 | 12-Jun-2017 | Pt111_2HCl4Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -136.92068041; eV | |||
 | 12-Jun-2017 | Pt411_2HCl5Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -198.73799597; eV | |||
 | 12-Jun-2017 | Pt311_2HCl6Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -162.10746046; eV | |||
 | 12-Jun-2017 | Pt100_1HCl4Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -128.75747852; eV | |||
 | 12-Jun-2017 | Pt511_1HCl6Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -178.05661606; eV | |||
 | 12-Jun-2017 | Pt100_2HCl4Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -135.77812958; eV | |||
 | 12-Jun-2017 | Corner-Pt364_HCl119 | Almora, Neyvis | vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only | Geometry optimization | - | - | -2682.35092078; eV |
Results 1-10 of 295 (Search time: 0.001 seconds).