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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): 1001 to 1020 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1910 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.24713170; eV | |||
 | 9-Apr-2025 | /clean surface_1911 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.51741630; eV | |||
 | 9-Apr-2025 | /clean surface_1912 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.02371600; eV | |||
 | 9-Apr-2025 | /clean surface_1913 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.78877646; eV | |||
 | 9-Apr-2025 | /clean surface_1914 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.83455735; eV | |||
 | 9-Apr-2025 | /clean surface_1915 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.05834500; eV | |||
 | 9-Apr-2025 | /clean surface_1916 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.08513871; eV | |||
 | 9-Apr-2025 | /clean surface_1918 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.40938648; eV | |||
 | 9-Apr-2025 | /clean surface_1919 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.66489290; eV | |||
 | 9-Apr-2025 | /clean surface_192 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.29649682; eV | |||
 | 9-Apr-2025 | /clean surface_1920 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.20964766; eV | |||
 | 9-Apr-2025 | /clean surface_1922 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.79699107; eV | |||
 | 9-Apr-2025 | /clean surface_1923 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.06214825; eV | |||
 | 9-Apr-2025 | /clean surface_1924 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.36948129; eV | |||
 | 9-Apr-2025 | /clean surface_1925 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.53070595; eV | |||
 | 9-Apr-2025 | /clean surface_1926 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.50153160; eV | |||
 | 9-Apr-2025 | /clean surface_1927 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.68297325; eV | |||
 | 9-Apr-2025 | /clean surface_1928 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.63987347; eV | |||
 | 9-Apr-2025 | /clean surface_1929 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.24041559; eV | |||
 | 9-Apr-2025 | /clean surface_193 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.94162991; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1001 to 1020 of 4380
