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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): 941 to 960 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1857 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.15495284; eV | |||
 | 9-Apr-2025 | /clean surface_1858 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.29084558; eV | |||
 | 9-Apr-2025 | /clean surface_1859 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.66079543; eV | |||
 | 9-Apr-2025 | /clean surface_186 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.88415335; eV | |||
 | 9-Apr-2025 | /clean surface_1860 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.94938347; eV | |||
 | 9-Apr-2025 | /clean surface_1861 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.01816228; eV | |||
 | 9-Apr-2025 | /clean surface_1862 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.74591058; eV | |||
 | 9-Apr-2025 | /clean surface_1863 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.37413343; eV | |||
 | 9-Apr-2025 | /clean surface_1864 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.27593124; eV | |||
 | 9-Apr-2025 | /clean surface_1865 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.03087002; eV | |||
 | 9-Apr-2025 | /clean surface_1866 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.21726848; eV | |||
 | 9-Apr-2025 | /clean surface_1867 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.09162563; eV | |||
 | 9-Apr-2025 | /clean surface_1868 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.60100008; eV | |||
 | 9-Apr-2025 | /clean surface_1869 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.82304422; eV | |||
 | 9-Apr-2025 | /clean surface_187 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.48359638; eV | |||
 | 9-Apr-2025 | /clean surface_1870 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.74438573; eV | |||
 | 9-Apr-2025 | /clean surface_1871 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.50599642; eV | |||
 | 9-Apr-2025 | /clean surface_1872 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.55913150; eV | |||
 | 9-Apr-2025 | /clean surface_1873 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.64839092; eV | |||
 | 9-Apr-2025 | /clean surface_1874 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.90574912; eV |
Collection's Items (Sorted by Submit Date in Descending order): 941 to 960 of 4380
