Browsing by Author Strugovshchikov, Evgenii
Showing results 77 to 96 of 400
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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 Cu14-m25 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -13.59639532; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu14-m5 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -34.73620949; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -38.57038866; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu19 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -51.36324003; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu19-10 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -49.37422431; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu19-15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -47.38670604; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu19-20 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -45.05672755; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu19-25 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -42.54085074; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu19-5 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -50.80639004; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu19-m10 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -48.00360059; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu19-m15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -42.63936465; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu19-m20 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -33.34604629; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu19-m25 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -18.49959554; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu19-m5 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -50.63636909; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu23 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -62.59796341; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu32 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -90.46846603; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu37 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -105.64631027; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu38 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -112.46333307; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu38-10 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -109.77573637; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu38-15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -106.94340099; eV |