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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): 2981 to 3000 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_19 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.91818540; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_190 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.99655831; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1900 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.04685506; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1901 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.74214049; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1902 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.31557275; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1903 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.81992133; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1904 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.52261886; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1905 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.04867470; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1906 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.98732783; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1907 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.44934600; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1908 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.51671050; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1909 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.25103119; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_191 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.20782972; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1910 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -428.06688239; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1911 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.26129687; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1912 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.17426849; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1913 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.22910258; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1914 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.88249902; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1915 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.97515046; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1916 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.19958548; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2981 to 3000 of 4380
