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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 7_EeOC_Ofc-Hstrip_Final | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | DFT | - | -1248.82778487; eV | |||
 | 20-May-2019 | /FePO4 7_EeOC_Cl-Hstrip_Initial | 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 7_EeOC_Ofc-Hstrip_TS | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Frequencies | DFT | - | -1246.53273785; eV | |||
 | 20-May-2019 | /FePO4 7_EeOC_Cl-Hstrip_TS | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Frequencies | DFT | - | -1253.54820343; eV | |||
 | 15-Jan-2019 | 7c_Br_Br_ethyl_bromide_HBrstrip_TS | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Frequencies | DFT | - | -1252.85271066; eV | |||
 | 15-Jan-2019 | 3c_Cl_Cl_ethyl_chloride_HClstrip_TS | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Frequencies | DFT | - | -1254.25428312; eV |
Results 51-56 of 56 (Search time: 0.001 seconds).