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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): 3201 to 3220 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_297 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.24892271; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_298 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.90073102; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_299 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.74574072; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_3 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.47169786; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_30 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.54293511; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_300 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.16562898; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_301 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.31201082; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_302 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.41219075; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_303 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.12566861; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_304 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.66027673; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_305 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.32303007; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_306 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.52460861; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_307 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.56482719; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_308 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.58963362; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_309 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.71984861; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_31 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.70332116; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_310 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.28095478; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_311 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.96938405; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_312 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.93275633; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_313 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.03384759; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3201 to 3220 of 4380
