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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Jun-2017 | Pt411_10HCl20Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -805.16476521; 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 | |||
 | 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 | Pt100_1HCl6Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -189.35878148; 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 | Pt110_8HCl12Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -718.23040870; 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 | Pt211_1HCl3Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -118.60490238; eV | |||
 | 12-Jun-2017 | Pt211_2HCl3Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -124.30562090; eV | |||
 | 12-Jun-2017 | Pt211_1HCl6Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -230.67053965; eV |
Results 11-20 of 23 (Search time: 0.0 seconds).