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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Oct-2018 | a1_clean | Chuong Nguyën, Huu | QuantumEspresso; 6.1 | Single point | pbe | Ultrasoft | -196888.835360; eV | |||
 | 30-Oct-2018 | MgnOH1 | Chuong Nguyën, Huu | QuantumEspresso; | Single point | pbe | Ultrasoft; PAW | -185842.017451; eV | |||
 | 30-Oct-2018 | MgnO1 | Chuong Nguyën, Huu | QuantumEspresso; | Single point | pbe | Ultrasoft; PAW | -185805.781007; eV | |||
 | 31-Oct-2018 | Ni12 | Chuong Nguyën, Huu | QuantumEspresso; | Single point | pbe | Ultrasoft | -201779.008566; eV | |||
 | 31-Oct-2018 | Ni11 | Chuong Nguyën, Huu | QuantumEspresso; | Single point | pbe | Ultrasoft | -201778.736391; eV | |||
 | 31-Oct-2018 | Ni13 | Chuong Nguyën, Huu | QuantumEspresso; | Single point | pbe | Ultrasoft | -201777.948379; eV | |||
 | 31-Oct-2018 | Ni14 | Chuong Nguyën, Huu | QuantumEspresso; | Single point | pbe | Ultrasoft | -201777.761030; eV | |||
 | 31-Oct-2018 | Ni15 | Chuong Nguyën, Huu | QuantumEspresso; | Single point | pbe | Ultrasoft | -201777.833220; eV | |||
 | 26-Jun-2020 | c5 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Single point | PBE | Ultrasoft | -193695.720482; eV | |||
 | 28-Aug-2019 | Bulk_BiVO4_2x2x2_supercell_PBE0-10_pbesol-geo_single-point | Hegner, Franziska Simone | QuantumEspresso; 6.2; 13949:13950 | Single point | PBE0 | NORMCONS | -176720.583867; eV |
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- 42 Photophysics