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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): 3181 to 3200 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_279 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.25120797; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_28 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.74766893; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_280 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.81189263; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_281 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.07535944; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_282 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.92785671; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_283 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.56256917; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_284 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.00380494; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_285 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.55091047; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_286 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.33359216; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_287 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.47108685; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_288 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.03480147; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_289 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.19188749; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_29 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.64070623; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_290 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.91019951; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_291 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.03774651; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_292 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.34570394; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_293 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.52268659; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_294 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.69406256; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_295 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.20815764; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_296 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.88688872; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3181 to 3200 of 4380
