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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): 2741 to 2760 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_1683 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.94710499; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1684 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.15659274; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1685 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.98039447; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1686 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.60897694; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1687 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.38738593; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1688 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.27611737; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1689 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.99031322; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_169 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.73984572; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1690 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.93596890; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1691 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.21018738; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1692 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.85580754; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1693 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.00283465; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1694 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.28198802; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1695 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.08571458; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1696 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.62104113; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1697 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.28346133; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1698 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.42054793; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1699 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.58551874; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_17 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.26474794; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_170 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.92022122; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2741 to 2760 of 4380
