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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): 2361 to 2380 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_134 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.69078889; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1340 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.00763620; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1341 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.07156236; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1342 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.49576365; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1343 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.32411755; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1344 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.89293920; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1345 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.30138827; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1346 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.61692432; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1347 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.00330201; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1348 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.97075347; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1349 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.79702149; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_135 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.31970847; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1350 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.90052483; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1351 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.16037849; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1352 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.18245179; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1353 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.28273864; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1354 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.82824231; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1355 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.52118449; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1356 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.65158415; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1357 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.48924275; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2361 to 2380 of 4380
