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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): 1301 to 1320 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_386 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.33878602; eV | |||
 | 9-Apr-2025 | /clean surface_387 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.11400024; eV | |||
 | 9-Apr-2025 | /clean surface_388 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.15362083; eV | |||
 | 9-Apr-2025 | /clean surface_389 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.54205925; eV | |||
 | 9-Apr-2025 | /clean surface_39 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.31909310; eV | |||
 | 9-Apr-2025 | /clean surface_390 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.98287117; eV | |||
 | 9-Apr-2025 | /clean surface_391 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.52150566; eV | |||
 | 9-Apr-2025 | /clean surface_392 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.32253825; eV | |||
 | 9-Apr-2025 | /clean surface_393 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.44906910; eV | |||
 | 9-Apr-2025 | /clean surface_394 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.56109643; eV | |||
 | 9-Apr-2025 | /clean surface_395 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.11242971; eV | |||
 | 9-Apr-2025 | /clean surface_396 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.52674190; eV | |||
 | 9-Apr-2025 | /clean surface_397 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.99248812; eV | |||
 | 9-Apr-2025 | /clean surface_398 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.00666262; eV | |||
 | 9-Apr-2025 | /clean surface_399 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.83203399; eV | |||
 | 9-Apr-2025 | /clean surface_4 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.87290307; eV | |||
 | 9-Apr-2025 | /clean surface_40 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.75348230; eV | |||
 | 9-Apr-2025 | /clean surface_400 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.01134699; eV | |||
 | 9-Apr-2025 | /clean surface_401 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.42593833; eV | |||
 | 9-Apr-2025 | /clean surface_402 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.16465961; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1301 to 1320 of 4380
