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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): 1781 to 1800 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_818 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.67065299; eV | |||
 | 9-Apr-2025 | /clean surface_819 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.57431724; eV | |||
 | 9-Apr-2025 | /clean surface_82 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.91229479; eV | |||
 | 9-Apr-2025 | /clean surface_820 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.21829691; eV | |||
 | 9-Apr-2025 | /clean surface_821 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.68419378; eV | |||
 | 9-Apr-2025 | /clean surface_822 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.66279642; eV | |||
 | 9-Apr-2025 | /clean surface_823 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.91507939; eV | |||
 | 9-Apr-2025 | /clean surface_824 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.12330973; eV | |||
 | 9-Apr-2025 | /clean surface_825 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.13109834; eV | |||
 | 9-Apr-2025 | /clean surface_826 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.29006624; eV | |||
 | 9-Apr-2025 | /clean surface_827 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.28826955; eV | |||
 | 9-Apr-2025 | /clean surface_828 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.34678350; eV | |||
 | 9-Apr-2025 | /clean surface_829 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.50519061; eV | |||
 | 9-Apr-2025 | /clean surface_83 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.68396183; eV | |||
 | 9-Apr-2025 | /clean surface_830 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.54734574; eV | |||
 | 9-Apr-2025 | /clean surface_831 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.58867358; eV | |||
 | 9-Apr-2025 | /clean surface_832 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.46704536; eV | |||
 | 9-Apr-2025 | /clean surface_833 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.98859763; eV | |||
 | 9-Apr-2025 | /clean surface_834 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.06649155; eV | |||
 | 9-Apr-2025 | /clean surface_835 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.11394557; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1781 to 1800 of 4380
