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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): 1201 to 1220 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_296 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.23950203; eV | |||
 | 9-Apr-2025 | /clean surface_297 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.55905863; eV | |||
 | 9-Apr-2025 | /clean surface_298 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.78225218; eV | |||
 | 9-Apr-2025 | /clean surface_299 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.40780827; eV | |||
 | 9-Apr-2025 | /clean surface_3 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.49833076; eV | |||
 | 9-Apr-2025 | /clean surface_30 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.84232639; eV | |||
 | 9-Apr-2025 | /clean surface_300 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.43529810; eV | |||
 | 9-Apr-2025 | /clean surface_301 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.27187138; eV | |||
 | 9-Apr-2025 | /clean surface_302 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.34166132; eV | |||
 | 9-Apr-2025 | /clean surface_303 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.85402220; eV | |||
 | 9-Apr-2025 | /clean surface_304 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.98692435; eV | |||
 | 9-Apr-2025 | /clean surface_305 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.83110669; eV | |||
 | 9-Apr-2025 | /clean surface_306 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.42354942; eV | |||
 | 9-Apr-2025 | /clean surface_307 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.50697355; eV | |||
 | 9-Apr-2025 | /clean surface_308 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.69114311; eV | |||
 | 9-Apr-2025 | /clean surface_309 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.48079053; eV | |||
 | 9-Apr-2025 | /clean surface_31 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.91258314; eV | |||
 | 9-Apr-2025 | /clean surface_310 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.48348157; eV | |||
 | 9-Apr-2025 | /clean surface_311 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.05617655; eV | |||
 | 9-Apr-2025 | /clean surface_312 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.07111575; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1201 to 1220 of 4380
