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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): 2961 to 2980 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_1881 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.84138629; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1882 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.04070555; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1883 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.71609697; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1884 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.09186898; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1885 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.53385167; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1886 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.02090071; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1887 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.03209632; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1888 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.93219673; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1889 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.06164189; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_189 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.75650935; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1890 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.82397537; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1891 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.46896019; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1892 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.18519934; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1893 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.02971566; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1894 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.09384392; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1895 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.38382059; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1896 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.73817988; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1897 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.73853187; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1898 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.87219921; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1899 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.63819933; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2961 to 2980 of 4380
