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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jun-2020 | c5_O_H2_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -193730.504782; eV | |||
 | 26-Jun-2020 | c5_O_OH1_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -194147.468400; eV | |||
 | 26-Jun-2020 | c5_Ni_OOH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194582.389241; eV | |||
 | 26-Jun-2020 | c5_Ni_OH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194146.917559; eV | |||
 | 26-Jun-2020 | c5_O_H1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -193713.100297; eV | |||
 | 26-Jun-2020 | c5_Ni_O1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194129.738646; 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 | |||
 | 26-Jun-2020 | c5_Zn_OOH1_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194581.585151; eV | |||
 | 26-Jun-2020 | c5_Zn_OH1_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -194147.700140; eV |
Results 1-10 of 174 (Search time: 0.001 seconds).