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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-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 Ni55 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -254.29110490; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni12 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -44.45679502; eV | |||
 | 1-Mar-2024 | /Gas_phase CO2(g)-20deg | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -22.70923558; eV | |||
 | 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/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 |
Results 1361-1370 of 2835 (Search time: 0.001 seconds).
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Subject
- 218 Polyoxometalates
- 116 Adsorption
- 91 Fullerenes
- 77 Boron
- 77 Vanadium
- 68 Protonation
- 68 Vanadates
- 61 Bioinorganic chemistry
- 61 Biological activity
- 58 Epoxidation
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Date issued
- 3 2016