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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jun-2020 | c4_Fe_OOH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194582.171917; eV | |||
| 26-Jun-2020 | c4_Ni_OOH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194582.474696; eV | |||
| 26-Jun-2020 | c4_Fe_OH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194147.306619; eV | |||
| 26-Jun-2020 | c4_Ni_OH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194146.891591; eV | |||
| 26-Jun-2020 | c4_Zn_O1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194129.121031; eV | |||
| 26-Jun-2020 | c4_Fe_O1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194128.485837; eV | |||
| 26-Jun-2020 | c4_Ni_O1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194128.629241; eV | |||
| 26-Jun-2020 | c00001 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129138.535118; eV | |||
| 26-Jun-2020 | c00041_out1_001_1_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -193693.818524; eV | |||
| 26-Jun-2020 | c00041_out1_001_2_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -193695.720388; eV |
Results 1-10 of 174 (Search time: 0.0 seconds).