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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): 2621 to 2640 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_1574 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.25662808; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1575 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.37068819; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1576 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.38983882; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1577 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.68409047; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1578 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.51231743; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1579 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.44163074; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_158 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.62001730; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1580 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.70394609; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1581 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.55287914; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1582 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.02461552; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1583 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.43623334; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1584 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.53568452; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1585 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.53793643; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1586 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.43545227; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1587 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -428.80200516; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1588 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.26048993; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1589 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.90984882; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_159 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.59327341; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1590 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.92238375; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1591 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.96702592; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2621 to 2640 of 4380
