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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): 2581 to 2600 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_1538 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.49855598; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1539 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.19249262; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_154 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.27489892; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1540 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.18846500; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1541 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -428.15933154; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1542 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.65406439; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1543 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.79227756; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1544 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.34487613; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1545 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.94368400; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1546 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.90638240; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1547 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.59899947; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1548 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.98700604; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1549 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.47333689; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_155 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.76573085; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1550 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.52053644; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1551 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.46732447; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1552 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.74724928; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1553 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.21337587; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1554 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.74584279; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1555 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.44911581; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2581 to 2600 of 4380
