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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): 1141 to 1160 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_241 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.76562961; eV | |||
 | 9-Apr-2025 | /clean surface_242 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.66380946; eV | |||
 | 9-Apr-2025 | /clean surface_243 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.15008904; eV | |||
 | 9-Apr-2025 | /clean surface_244 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.76423594; eV | |||
 | 9-Apr-2025 | /clean surface_245 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.33179592; eV | |||
 | 9-Apr-2025 | /clean surface_246 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.84604186; eV | |||
 | 9-Apr-2025 | /clean surface_247 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.25942436; eV | |||
 | 9-Apr-2025 | /clean surface_248 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.52038367; eV | |||
 | 9-Apr-2025 | /clean surface_249 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.15124181; eV | |||
 | 9-Apr-2025 | /clean surface_25 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.69957932; eV | |||
 | 9-Apr-2025 | /clean surface_250 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.19001349; eV | |||
 | 9-Apr-2025 | /clean surface_251 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.08039420; eV | |||
 | 9-Apr-2025 | /clean surface_252 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.53884774; eV | |||
 | 9-Apr-2025 | /clean surface_253 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.73856636; eV | |||
 | 9-Apr-2025 | /clean surface_254 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.19833485; eV | |||
 | 9-Apr-2025 | /clean surface_255 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.86318821; eV | |||
 | 9-Apr-2025 | /clean surface_256 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.51494768; eV | |||
 | 9-Apr-2025 | /clean surface_257 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.21488985; eV | |||
 | 9-Apr-2025 | /clean surface_258 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.29570428; eV | |||
 | 9-Apr-2025 | /clean surface_259 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.14113176; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1141 to 1160 of 4380
