Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni13-1 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -48.80288487; eV | |||
 | 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 Ni23 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -94.56206339; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni19 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -77.21683959; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu-bulk-m10 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -14.65687901; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu-bulk-3 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -14.90262965; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni38-10 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -147.63470194; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni14-20 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -43.34506313; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni14-m15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -41.18749612; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni19-m20 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -48.89608931; eV |
Results 1331-1340 of 2835 (Search time: 0.001 seconds).
Discover
Subject
- 218 Polyoxometalates
- 116 Adsorption
- 91 Fullerenes
- 77 Boron
- 77 Vanadium
- 68 Protonation
- 68 Vanadates
- 61 Bioinorganic chemistry
- 61 Biological activity
- 58 Epoxidation
- next >
Date issued
- 3 2016