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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): 2541 to 2560 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_1501 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.46542282; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1502 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.66353556; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1503 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.56638683; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1504 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.83022357; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1505 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.31120746; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1506 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.39296913; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1507 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.98128888; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1508 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.06073248; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1509 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.02267687; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_151 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.29319695; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1510 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.89104680; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1511 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.20993379; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1512 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.68300668; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1513 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.08918074; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1514 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.52246831; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1515 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.12561347; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1516 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.68673128; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1517 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.72994899; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1518 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.04650333; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1519 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.22801944; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2541 to 2560 of 4380
