Browsing by Author Almora, Neyvis
Showing results 21 to 23 of 23
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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
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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 | 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 | Pt511_3HCl6Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -190.70750394; eV |