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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): 1421 to 1440 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_494 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.07463908; eV | |||
 | 9-Apr-2025 | /clean surface_495 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.76176451; eV | |||
 | 9-Apr-2025 | /clean surface_496 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.21670821; eV | |||
 | 9-Apr-2025 | /clean surface_497 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.44786063; eV | |||
 | 9-Apr-2025 | /clean surface_498 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.50424207; eV | |||
 | 9-Apr-2025 | /clean surface_499 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.36216645; eV | |||
 | 9-Apr-2025 | /clean surface_5 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.47922217; eV | |||
 | 9-Apr-2025 | /clean surface_50 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.69348401; eV | |||
 | 9-Apr-2025 | /clean surface_500 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.85900522; eV | |||
 | 9-Apr-2025 | /clean surface_501 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.69839379; eV | |||
 | 9-Apr-2025 | /clean surface_502 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.15464278; eV | |||
 | 9-Apr-2025 | /clean surface_503 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.51202487; eV | |||
 | 9-Apr-2025 | /clean surface_504 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.10984745; eV | |||
 | 9-Apr-2025 | /clean surface_505 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.39159306; eV | |||
 | 9-Apr-2025 | /clean surface_506 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.09844903; eV | |||
 | 9-Apr-2025 | /clean surface_507 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.50250409; eV | |||
 | 9-Apr-2025 | /clean surface_508 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.18221161; eV | |||
 | 9-Apr-2025 | /clean surface_509 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.84465341; eV | |||
 | 9-Apr-2025 | /clean surface_51 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.65155330; eV | |||
 | 9-Apr-2025 | /clean surface_510 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.63609675; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1421 to 1440 of 4380
