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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): 3141 to 3160 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_242 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.45837926; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_243 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.93426259; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_244 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.77120662; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_245 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.51583255; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_246 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.49328983; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_247 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.29168337; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_248 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.32588106; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_249 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.09381348; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_25 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.73905492; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_250 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.04927553; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_251 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.04866121; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_252 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.28195510; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_253 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.78562839; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_254 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.74773871; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_255 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.56335790; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_256 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.32176011; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_257 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.90280173; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_258 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.35853770; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_259 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.86433494; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_26 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.54720507; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3141 to 3160 of 4380
