Browsing by Author Strugovshchikov, Evgenii
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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/Cu_structures Cu-bulk-m2 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -14.90939901; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu-bulk-m3 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -14.89748009; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu-bulk-m4 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -14.88075882; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu-bulk-m5 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -14.85866996; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu1 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -0.24182536; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu100 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -109.52549268; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu111 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -223.70563508; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu12 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -29.59689801; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu13-1 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -32.11151883; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu13-2 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -32.25186835; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu13-3 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -31.90709776; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu14 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -35.22009479; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu14-10 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -33.89430922; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu14-15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -32.56675404; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu14-20 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -31.00817120; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu14-25 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -29.31742928; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu14-5 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -34.84644925; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu14-m10 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -32.99676677; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu14-m15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -29.45733016; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu14-m20 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -23.34198972; eV |