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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): 2901 to 2920 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_1827 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.77922120; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1828 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.88526498; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1829 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.61564752; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_183 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.52866466; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1830 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.08947293; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1831 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.96881090; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1832 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.41775358; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1833 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.58308488; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1834 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.63886539; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1835 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.02451285; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1836 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.75840283; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1837 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.58048801; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1838 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.44116384; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1839 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.15542440; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_184 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.26678929; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1840 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.34374296; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1841 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.99219355; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1842 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.52055573; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1843 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.12985924; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1844 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.42291860; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2901 to 2920 of 4380
