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DOI: 10.19061/iochem-bd-6-522
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Collection's Items (Sorted by Submit Date in Descending order): 2681 to 2700 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /H_surface H_surface_1628 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.34095166; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1629 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.80746135; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_163 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.71145967; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1630 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.64459183; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1631 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.51749805; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1632 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.87277064; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1633 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.73100104; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1634 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.85896952; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1635 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.62078835; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1636 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.41871110; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1637 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.97142480; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1638 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.86867106; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1639 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.67456890; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_164 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.47266344; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1640 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.45415836; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1641 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.08281302; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1642 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.30467013; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1643 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.42047896; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1644 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.10969492; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1645 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.72263615; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2681 to 2700 of 4380
