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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 17-Jul-2025 | /Pt5 Naked_Pt5_b | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -17.69112298; eV | ||||
| 17-Jul-2025 | /Pt5 Naked_Pt5_d | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -17.66035537; eV | ||||
| 17-Jul-2025 | /Pt5 Naked_Pt5_a | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -17.85625811; eV | ||||
| 17-Jul-2025 | /Pt6 Naked_Pt6_c | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -21.92273832; eV | ||||
| 17-Jul-2025 | /Pt6 Naked_Pt6_a | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -22.95764273; eV | ||||
| 17-Jul-2025 | /Pt5 Naked_Pt5_e | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -17.51239805; eV | ||||
| 17-Jul-2025 | /Pt5-C3N4 Pt5-C3N4_b | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -496.92090071; eV | ||||
| 17-Jul-2025 | /Pt2-Al2O3 Pt2-Al2O3_b | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -1195.13962507; eV | ||||
| 17-Jul-2025 | /Pt5-C3N4 Pt5-C3N4_e | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -496.32163451; eV | ||||
| 17-Jul-2025 | /Pt5-C3N4 Pt5-C3N4_d | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -496.54549253; eV |
Results 2101-2110 of 2546 (Search time: 0.001 seconds).
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Subject
- 186 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