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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-May-2019 | /FePO4 1_EaOC_Ofc_Hstrip_Final | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1255.35455215; eV | |||
 | 20-May-2019 | /FePO4 2_EaOC_Cl_Cladd_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1255.20363405; eV | |||
 | 20-May-2019 | /FePO4 5_EaOC_Ofc_H-Clstrip_Final | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1248.82058704; eV | |||
 | 20-May-2019 | /FePO4 1_EaOC_Cl_Hstrip_TS | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Frequencies | DFT | - | -1261.81406650; eV | |||
 | 22-May-2019 | /FePO4 10_EeOC_Cl_Clstrip_Final | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1254.47257201; eV | |||
 | 20-May-2019 | /FePO4 1_EaOC_Ou_Hstrip_Final | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1254.30360373; eV | |||
 | 22-May-2019 | /FePO4 10_EeOC_Cl_Clstrip_TS | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Frequencies | DFT | - | -1252.90837418; eV | |||
 | 20-May-2019 | /FePO4 1_EaOC_Ou_Hstrip_TS | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Frequencies | DFT | - | -1253.06994861; eV | |||
 | 20-May-2019 | /FePO4 1_EaOC_Ou_Hstrip_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1254.30360373; eV | |||
 | 20-May-2019 | /FePO4 3_EaOC_Ofc_Hstrip_Final | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1247.95361862; eV |
Results 21-30 of 56 (Search time: 0.001 seconds).