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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): 3121 to 3140 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_224 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.98785978; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_225 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.68094485; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_226 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.06792473; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_227 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.07926495; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_228 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.47565197; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_229 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.41365250; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_23 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.18861353; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_230 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.97826652; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_231 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.59598345; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_232 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.46756198; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_233 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.54875388; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_234 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.90319669; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_235 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.82462649; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_236 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.91289064; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_237 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.77871045; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_238 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.93896988; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_239 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.30948806; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_24 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.94635901; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_240 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.17864667; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_241 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.64876128; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3121 to 3140 of 4380
