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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): 2241 to 2260 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_1231 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.20189442; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1232 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.57083667; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1233 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.72952727; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1234 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.36654164; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1235 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.59048701; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1236 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.42087204; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1237 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.03650826; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1238 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.88206003; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1239 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.94519264; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_124 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.20536540; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1240 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.64747574; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1241 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.91826584; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1242 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.10421551; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1243 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.00941569; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1244 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.37531040; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1245 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.38319657; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1246 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.83994832; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1247 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.01788351; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1248 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.22809882; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1249 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.47797843; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2241 to 2260 of 4380
