Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-May-2019 | /FePO4 9_EeOC_Ofc-Hstrip_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1255.70397776; eV | |||
 | 20-May-2019 | /FePO4 5_EaOC_Cl_H-Clstrip_Final | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1254.87941950; eV | |||
 | 20-May-2019 | /FePO4 8_EeOC_Cl-Cladd_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1254.18951011; eV | |||
 | 20-May-2019 | /FePO4 7_EeOC_Cl-Hstrip_Final | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1253.21445629; eV | |||
 | 20-May-2019 | /FePO4 6_EeOC_Cl_H-Clstrip_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1248.47654672; eV | |||
 | 20-May-2019 | /FePO4 1_EaOC_Cl_Hstrip_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1263.85671013; eV | |||
 | 20-May-2019 | /FePO4 1_EaOC_Ofc_Hstrip_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1255.27033237; eV | |||
 | 20-May-2019 | /FePO4 3_EaOC_Cl_Hstrip_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1255.78264594; eV | |||
 | 20-May-2019 | /FePO4 3_EaOC_Ofc_Hstrip_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1249.28460674; eV | |||
 | 20-May-2019 | /FePO4 3_EaOC_Ou_Hstrip_Final | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1247.77396714; eV |
Results 1-10 of 35 (Search time: 0.0 seconds).