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/Ni_structures Ni6-5 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -18.29727661; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni6-m10 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -17.51489701; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni6-m15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -16.03479063; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni6-m20 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -13.49642141; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni6-m25 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -9.49964246; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni6-m5 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -18.24879711; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Cu1Ni31 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -173.15950471; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Cu2Ni30-clustered | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -171.29051951; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Cu2Ni30-dispersed | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -171.24209063; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Cu4Ni28-clustered | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -167.58376694; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Cu4Ni28-dispersed | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -167.56055073; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Ni11Cu3 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -48.95474582; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Ni11Cu3-2 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -49.27958101; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Ni12Cu1 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -46.51786381; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Ni12Cu2 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -50.42470774; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Ni13Cu1 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -51.32719775; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Ni17Cu18 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -123.71979293; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Ni20Cu23 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -152.36557466; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Ni24Cu8 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -122.84476837; eV | |||
 | 1-Mar-2024 | /Metal_structures/NiCu_structures Ni36Cu11 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -189.91254156; eV |