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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): 1181 to 1200 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_278 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.55298246; eV | |||
 | 9-Apr-2025 | /clean surface_279 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.40139764; eV | |||
 | 9-Apr-2025 | /clean surface_28 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.71147974; eV | |||
 | 9-Apr-2025 | /clean surface_280 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.34067684; eV | |||
 | 9-Apr-2025 | /clean surface_281 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.90352438; eV | |||
 | 9-Apr-2025 | /clean surface_282 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.15262874; eV | |||
 | 9-Apr-2025 | /clean surface_283 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.58923728; eV | |||
 | 9-Apr-2025 | /clean surface_284 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.07568224; eV | |||
 | 9-Apr-2025 | /clean surface_285 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.29969671; eV | |||
 | 9-Apr-2025 | /clean surface_286 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.67733179; eV | |||
 | 9-Apr-2025 | /clean surface_287 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.34801766; eV | |||
 | 9-Apr-2025 | /clean surface_288 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.23099900; eV | |||
 | 9-Apr-2025 | /clean surface_289 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.51882892; eV | |||
 | 9-Apr-2025 | /clean surface_29 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.88306676; eV | |||
 | 9-Apr-2025 | /clean surface_290 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.50292277; eV | |||
 | 9-Apr-2025 | /clean surface_291 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.08679778; eV | |||
 | 9-Apr-2025 | /clean surface_292 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.66230090; eV | |||
 | 9-Apr-2025 | /clean surface_293 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.46404764; eV | |||
 | 9-Apr-2025 | /clean surface_294 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.47265944; eV | |||
 | 9-Apr-2025 | /clean surface_295 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.16984569; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1181 to 1200 of 4380
