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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): 961 to 980 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1875 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.90772261; eV | |||
 | 9-Apr-2025 | /clean surface_1876 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.01385247; eV | |||
 | 9-Apr-2025 | /clean surface_1877 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.61465146; eV | |||
 | 9-Apr-2025 | /clean surface_1878 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.17051282; eV | |||
 | 9-Apr-2025 | /clean surface_1879 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.37072084; eV | |||
 | 9-Apr-2025 | /clean surface_188 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.25274301; eV | |||
 | 9-Apr-2025 | /clean surface_1880 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.19599291; eV | |||
 | 9-Apr-2025 | /clean surface_1881 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.97623219; eV | |||
 | 9-Apr-2025 | /clean surface_1882 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.04835926; eV | |||
 | 9-Apr-2025 | /clean surface_1883 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.61225416; eV | |||
 | 9-Apr-2025 | /clean surface_1884 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.32653737; eV | |||
 | 9-Apr-2025 | /clean surface_1885 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.82603692; eV | |||
 | 9-Apr-2025 | /clean surface_1886 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.25639297; eV | |||
 | 9-Apr-2025 | /clean surface_1887 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.95014256; eV | |||
 | 9-Apr-2025 | /clean surface_1888 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.19128383; eV | |||
 | 9-Apr-2025 | /clean surface_1889 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.31569962; eV | |||
 | 9-Apr-2025 | /clean surface_189 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.57689955; eV | |||
 | 9-Apr-2025 | /clean surface_1890 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.48489361; eV | |||
 | 9-Apr-2025 | /clean surface_1891 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.64119902; eV | |||
 | 9-Apr-2025 | /clean surface_1892 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.70761086; eV |
Collection's Items (Sorted by Submit Date in Descending order): 961 to 980 of 4380
