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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): 1861 to 1880 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_890 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.43394790; eV | |||
 | 9-Apr-2025 | /clean surface_891 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.19880334; eV | |||
 | 9-Apr-2025 | /clean surface_892 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.99928322; eV | |||
 | 9-Apr-2025 | /clean surface_893 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.85220062; eV | |||
 | 9-Apr-2025 | /clean surface_894 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.32870985; eV | |||
 | 9-Apr-2025 | /clean surface_895 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.03602539; eV | |||
 | 9-Apr-2025 | /clean surface_896 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.51748710; eV | |||
 | 9-Apr-2025 | /clean surface_897 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.52027421; eV | |||
 | 9-Apr-2025 | /clean surface_898 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.34104092; eV | |||
 | 9-Apr-2025 | /clean surface_899 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.65103495; eV | |||
 | 9-Apr-2025 | /clean surface_9 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.89649631; eV | |||
 | 9-Apr-2025 | /clean surface_90 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.97693845; eV | |||
 | 9-Apr-2025 | /clean surface_900 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.57707722; eV | |||
 | 9-Apr-2025 | /clean surface_901 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.00010413; eV | |||
 | 9-Apr-2025 | /clean surface_902 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.91399868; eV | |||
 | 9-Apr-2025 | /clean surface_903 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.72921739; eV | |||
 | 9-Apr-2025 | /clean surface_904 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.04373692; eV | |||
 | 9-Apr-2025 | /clean surface_905 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.14685933; eV | |||
 | 9-Apr-2025 | /clean surface_906 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.25397198; eV | |||
 | 9-Apr-2025 | /clean surface_907 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.24765775; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1861 to 1880 of 4380
