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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni19-m25 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -31.53726216; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni6-20 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -16.63276264; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni13-2 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -49.20168099; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu-bulk | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -14.91582121; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni111 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -346.49189620; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -58.10510174; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni6 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -20.03181442; eV | |||
 | 1-Mar-2024 | /Gas_phase C(g) | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -1.26153992; eV | |||
 | 1-Mar-2024 | /Gas_phase CO2(g)-10deg | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -22.91780751; eV | |||
 | 1-Mar-2024 | /Gas_phase CO2(g)-30deg | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -22.34584349; eV |
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