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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): 3161 to 3180 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_260 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.10664631; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_261 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.13983818; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_262 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.08723798; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_263 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.73260026; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_264 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.90800904; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_265 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.20043747; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_266 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.11508661; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_267 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.85490650; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_268 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.76964973; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_269 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.05130750; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_27 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.47813076; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_270 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.14187130; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_271 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.69182181; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_272 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.37276983; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_273 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.08685701; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_274 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.47841631; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_275 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.17731517; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_276 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.75076104; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_277 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.33929519; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_278 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.56056197; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3161 to 3180 of 4380
