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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2018 | EuOCl_bulk_DFTU_4_5 | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex | Geometry optimization | - | - | -48.74261375; eV | |||
| 19-Mar-2018 | EuOCl_101_surface | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -136.11993748; eV | |||
| 19-Mar-2018 | EuOCl_110_surface | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -140.07908347; eV | |||
| 19-Mar-2018 | EuOCl_102_surface_from_EuOBr_102 | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -168.19535264; eV | |||
| 19-Mar-2018 | EuOCl_102_surface | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | - | - | -185.63870413; 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 | |||
| 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-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 | 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-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 |
Results 1-10 of 208 (Search time: 0.0 seconds).