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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 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 Cu6-m15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -10.26401661; 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 | 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 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 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 Cu14-15 | 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 Cu19-10 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -49.37422431; eV |
Results 1261-1270 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