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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | FeFeNi_O_OH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | PBE | Ultrasoft | -145734.247838; eV | ||
 | FeNiNi_O_OH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | PBE | Ultrasoft | -145734.184975; eV | ||
 | NiFeNiO4_001_Fe_OH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | PBE | Ultrasoft | -145733.295893; eV | ||
 | NiFeNiO4_001_Ni_OH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -145735.742580; eV | ||
 | NiFeNiO4_vc_001_2_Fe_OH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -145733.765224; eV | ||
 | NiFeNiO4_vc_001_2_Ni_OH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | PBE | Ultrasoft | -145733.625858; eV |
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