Browsing by Author Fako, Edvin
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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 19-Aug-2021 | 111-Au-ac | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -534.81001932; eV | |||
![]() | 19-Aug-2021 | 111-Au-bulk | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -15.58874566; eV | |||
![]() | 19-Aug-2021 | 111-Au-clean | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -511.29202645; eV | |||
![]() | 19-Aug-2021 | 111-Ir-ac | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1309.94882299; eV | |||
![]() | 19-Aug-2021 | 111-Ir-bulk | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -38.25207807; eV | |||
![]() | 19-Aug-2021 | 111-Ir-clean | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1284.07580028; eV | |||
![]() | 19-Aug-2021 | 111-Pd-ac | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -796.30436028; eV | |||
![]() | 19-Aug-2021 | 111-Pd-bulk | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -23.18509539; eV | |||
![]() | 19-Aug-2021 | 111-Pd-clean | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -770.97436395; eV | |||
![]() | 19-Aug-2021 | 111-Pd-hcl | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -778.73749813; eV | |||
![]() | 19-Aug-2021 | 111-Pt-ac | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -940.89901672; eV | |||
![]() | 19-Aug-2021 | 111-Pt-bulk | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -27.57177529; eV | |||
![]() | 19-Aug-2021 | 111-Pt-clean | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -915.30200545; eV | |||
![]() | 19-Aug-2021 | 111-Rh-ac | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1074.93326445; eV | |||
![]() | 19-Aug-2021 | 111-Rh-bulk | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -31.45690179; eV | |||
![]() | 19-Aug-2021 | 111-Rh-clean | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1049.11309759; eV | |||
![]() | 19-Aug-2021 | 111-Ru-ac | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1321.68020577; eV | |||
![]() | 19-Aug-2021 | 111-Ru-bulk | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -19.48831878; eV | |||
![]() | 19-Aug-2021 | 111-Ru-clean | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1295.39602447; eV | |||
![]() | 19-Aug-2021 | 111-Ru-Ru_ac_breaking | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1322.12566227; eV |