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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): 2501 to 2520 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_1466 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.87955477; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1467 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.50865875; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1468 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.36507126; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1469 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.77629866; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_147 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.32956887; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1470 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.14864106; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1471 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.82733553; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1472 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.60127837; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1473 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -429.27903884; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1474 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.42900985; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1475 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.40209356; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1476 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.61867247; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1477 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.79260299; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1478 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.66324883; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1479 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.25460910; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_148 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.33487008; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1480 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.39541186; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1481 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.58435727; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1482 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.90257663; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1483 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.53096446; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2501 to 2520 of 4380
