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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): 2641 to 2660 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_1592 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.52019246; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1593 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.58381954; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1594 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.61370826; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1595 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.27513351; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1596 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.35742409; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1597 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.09327826; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1598 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.68424297; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1599 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.99928400; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_16 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.21265912; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_160 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.36181136; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1600 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.66603670; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1601 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.13920294; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1602 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.99968336; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1603 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.87698856; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1604 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.04800267; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1605 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.70755867; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1606 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.42551443; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1607 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.33944402; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1608 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.67001419; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1609 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.27275892; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2641 to 2660 of 4380
