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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 17-Jul-2025 | /Pt6-C3N4 Pt6-C3N4_a | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -501.16459799; eV | ||||
| 17-Jul-2025 | /Pt4-C3N4 Pt4-C3N4_a | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -492.16896775; eV | ||||
| 17-Jul-2025 | /Pt4-C3N4 Pt4-C3N4_b | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -492.05899382; eV | ||||
| 17-Jul-2025 | /Pt4-C3N4 Pt4-C3N4_d | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -491.62992481; eV | ||||
| 17-Jul-2025 | /Pt5-C3N4 Pt5-C3N4_c | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -496.73877957; eV | ||||
| 17-Jul-2025 | /Pt6-C3N4 Pt6-C3N4_c | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -500.60135374; eV | ||||
| 17-Jul-2025 | /Pt4-Al2O3 Pt4-Al2O3_d | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -1204.79694238; eV | ||||
| 17-Jul-2025 | /Pt4-Al2O3 Pt4-Al2O3_c | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -1204.91482879; eV | ||||
| 17-Jul-2025 | /Pt5-Al2O3 Pt5-Al2O3_d | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -1209.99502951; eV | ||||
| 17-Jul-2025 | /Pt5-Al2O3 Pt5-Al2O3_a | Pan, Jie | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -1211.14614589; eV |
Results 2111-2120 of 2546 (Search time: 0.002 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