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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): 2381 to 2400 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_1358 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.99307877; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1359 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.21793523; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_136 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.82331820; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1360 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.30253045; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1361 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.14234669; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1362 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.15899602; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1363 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.05285209; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1364 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.70714055; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1365 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.11394664; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1366 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.98332125; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1367 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.24144746; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1368 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.69952308; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1369 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.59757584; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_137 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.91361754; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1370 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.88141725; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1371 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.01260925; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1372 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.77780901; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1373 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.47692202; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1374 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.16059833; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1375 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.76664952; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2381 to 2400 of 4380
