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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Apr-2018 | 1_HCl_ads | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1198.11468627; eV | |||
| 17-Apr-2018 | 1_HBr_ads | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1197.53234363; eV | |||
| 17-Apr-2018 | O2_dissotiative_adsorption_clean_surf | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1207.22720065; eV | |||
| 17-Apr-2018 | 5_2X_radicals_removed | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1197.26111227; eV | |||
| 17-Apr-2018 | 2_X_radical_removed | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1192.82674334; eV | |||
| 17-Apr-2018 | 4_O2_dissotiation | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1210.81037481; eV | |||
| 17-Apr-2018 | 3_O2_adsorption | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1206.22386737; eV |
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