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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): 2921 to 2940 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_1845 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.74680472; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1846 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.98042007; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1847 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.14244132; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1848 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.44688967; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1849 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.01975677; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_185 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.03751925; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1850 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.39783017; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1851 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.89373828; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1852 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.10232662; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1853 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.97743541; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1854 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.46143556; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1855 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.82096776; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1856 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.42756435; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1857 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.30712972; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1858 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.24700961; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1859 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.78851471; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_186 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.88873963; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1860 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.40436883; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1861 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.82619343; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1862 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.12194348; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2921 to 2940 of 4380
