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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Sep-2018 | EuOCl(110)_2x2x1 | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | PBE+U | - | -555.84757662; eV | |||
 | 17-Sep-2018 | 7_Br_uncappedO_ethyl_bromide_Hstrip_TS | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Frequencies | PBE+U | - | -1246.10414619; eV | |||
 | 17-Sep-2018 | 8_Br_uncappedO_fcO_X_ethyl_bromide_Brstrip_Final | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | PBE+U | - | -1248.04858115; eV | |||
 | 17-Sep-2018 | 7a_Br_fcO_ethyl_brominde_Hstrip_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | PBE+U | - | -1248.67945884; eV | |||
 | 17-Sep-2018 | 7a_Br_fcO_ethyl_brominde_Hstrip_Final | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | PBE+U | - | -1247.40861128; eV | |||
 | 17-Sep-2018 | 7b_Br_Br_ethyl_bromide_Hstrip_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | PBE+U | - | -1254.62043320; eV | |||
 | 17-Sep-2018 | 1a_Cl_fcO_ethane_Hstrip_Initial | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Geometry optimization | PBE+U | - | -1255.27033237; eV | |||
 | 17-Sep-2018 | 6_Br_uncappedO_fcO_X_ethane_Bradd_TS | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Frequencies | PBE+U | - | -1254.14938155; eV | |||
 | 17-Sep-2018 | 4_Cl_uncappedO_fcO_X_ethyl_chloride_Clstrip_TS | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Frequencies | PBE+U | - | -1247.19259606; eV | |||
 | 17-Sep-2018 | 2_Cl_uncappedO_fcO_X_ethane_Cladd_TS | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex | Frequencies | PBE+U | - | -1255.17963165; eV |
Results 11-20 of 56 (Search time: 0.0 seconds).