Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Mar-2018 | Cl-Fe_H-O_bottom_capped_102_surface | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1179.07679767; eV | |||
| 29-Mar-2018 | Cl-Fe_H-Fe_double_capped_102_surface | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1199.12215789; eV | |||
| 29-Mar-2018 | Cl-removed_H-Fe_bottom_capped_102_surface | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1174.79192040; eV | |||
| 29-Mar-2018 | Cl-Fe_H-Fe_bottom_capped_102_surface | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1177.72013406; eV | |||
| 29-Mar-2018 | Cl-Fe_H-O_double_capped_102_surface | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1198.43466999; eV | |||
| 29-Mar-2018 | bottom_capped_102_surface | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1171.37168600; eV | |||
| 29-Mar-2018 | double_capped_102_surface | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex | Geometry optimization | - | - | -1190.46989008; eV | |||
| 29-Mar-2018 | Cl-removed_H-O_double_capped_102_surface | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -1193.45226681; eV |
Results 1-8 of 8 (Search time: 0.001 seconds).
Discover
Program name
- 8 vasp