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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): 2341 to 2360 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_1321 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.83598405; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1322 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.48507653; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1323 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.98039681; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1324 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.49045961; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1325 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.77536471; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1326 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.39150892; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1327 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.83931536; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1328 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.63292619; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1329 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.92015200; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_133 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.88935633; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1330 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.19019804; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1331 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.34832161; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1332 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.99179876; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1333 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.35043253; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1334 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.31004588; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1335 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.44422508; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1336 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.80009242; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1337 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.09332176; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1338 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.24847933; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1339 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.29562199; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2341 to 2360 of 4380
