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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): 2401 to 2420 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_1376 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.57280886; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1377 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.48059230; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1378 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.86374713; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1379 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.78333584; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_138 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.05286896; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1380 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.54664106; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1381 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.05639336; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1382 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.66751370; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1383 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.19851472; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1384 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.85889319; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1385 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.56645038; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1386 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.53015338; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1387 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.33943374; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1388 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.06209380; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1389 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.01742052; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_139 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.97302425; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1390 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.05004601; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1391 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.35807175; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1392 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.41722993; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1393 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.89246501; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2401 to 2420 of 4380
