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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): 2801 to 2820 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_1737 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.89751603; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1738 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.82529873; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1739 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.20264737; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_174 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.72274087; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1740 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.89837744; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1741 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.88506585; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1742 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.19308875; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1743 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.40628100; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1744 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.08037517; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1745 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.74420115; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1746 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.45908240; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1747 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.91483270; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1748 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.16981409; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1749 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.26549080; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_175 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.96978555; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1750 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.67001342; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1751 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.02422030; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1752 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.66119093; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1753 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.88295225; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1754 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.90088209; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2801 to 2820 of 4380
