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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): 2281 to 2300 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_1268 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.14337977; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1269 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.02696286; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_127 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.43734799; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1270 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.05582751; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1271 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.38008697; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1272 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.24520170; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1273 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.95403797; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1274 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.32401410; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1275 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.41287824; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1276 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.64450456; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1277 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.25886772; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1278 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.13893722; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1279 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.63673545; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_128 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.18355914; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1280 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.18029846; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1281 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.15021440; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1282 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.94017051; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1283 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.55233143; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1284 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.69773128; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1285 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.29998448; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2281 to 2300 of 4380
