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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): 3221 to 3240 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_314 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.46467635; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_315 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.32972615; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_316 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.07679955; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_317 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.23768026; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_318 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.48449806; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_319 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.17305645; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_32 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.79801353; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_320 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.88748832; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_321 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.78849216; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_322 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.79747660; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_323 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.72912317; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_324 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.57181619; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_325 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.15062425; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_326 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.03970060; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_327 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.95341713; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_328 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.23361236; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_329 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.74357713; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_33 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.75334586; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_330 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.19753270; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_331 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.97143489; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3221 to 3240 of 4380
