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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): 2721 to 2740 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_1664 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.62422633; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1665 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.44265203; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1666 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.33419499; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1667 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.46794178; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1668 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.59280183; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1669 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.20984931; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_167 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.21422114; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1670 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.35836983; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1671 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.35331211; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1672 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.88082866; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1673 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.39610077; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1674 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.10383114; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1675 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.67294201; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1677 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.69787439; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1678 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.97954458; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1679 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.94626106; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_168 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.64446712; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1680 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.96580697; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1681 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.55218915; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1682 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.95139779; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2721 to 2740 of 4380
