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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jun-2020 | c00081 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129138.410164; eV | |||
 | 26-Jun-2020 | c00087 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129137.310633; eV | |||
 | 26-Jun-2020 | c00092 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129137.913696; eV | |||
 | 26-Jun-2020 | NiFeNiO4_001_Fe_O1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -145715.332437; eV | |||
 | 26-Jun-2020 | FeFeNi_Ovac | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -144847.189531; eV | |||
 | 26-Jun-2020 | c00097 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129138.129964; eV | |||
 | 26-Jun-2020 | NiFeNiO4_001_Fe_OH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -145733.295893; eV | |||
 | 26-Jun-2020 | NiFeNiO4_8_43_out3 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -116252.978606; eV | |||
 | 26-Jun-2020 | c00049 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129138.504448; eV | |||
 | 26-Jun-2020 | c00038 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129138.453575; eV |
Results 11-20 of 174 (Search time: 0.001 seconds).