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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): 1561 to 1580 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_62 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.48230344; eV | |||
 | 9-Apr-2025 | /clean surface_620 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.56108409; eV | |||
 | 9-Apr-2025 | /clean surface_621 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.50654989; eV | |||
 | 9-Apr-2025 | /clean surface_622 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.66916488; eV | |||
 | 9-Apr-2025 | /clean surface_623 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.63265450; eV | |||
 | 9-Apr-2025 | /clean surface_624 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.40690357; eV | |||
 | 9-Apr-2025 | /clean surface_625 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.05895072; eV | |||
 | 9-Apr-2025 | /clean surface_626 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.82916236; eV | |||
 | 9-Apr-2025 | /clean surface_627 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.70978792; eV | |||
 | 9-Apr-2025 | /clean surface_628 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.34250370; eV | |||
 | 9-Apr-2025 | /clean surface_629 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.34889670; eV | |||
 | 9-Apr-2025 | /clean surface_63 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.39833919; eV | |||
 | 9-Apr-2025 | /clean surface_630 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.86342645; eV | |||
 | 9-Apr-2025 | /clean surface_631 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.20272356; eV | |||
 | 9-Apr-2025 | /clean surface_632 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.82778597; eV | |||
 | 9-Apr-2025 | /clean surface_633 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.73214149; eV | |||
 | 9-Apr-2025 | /clean surface_634 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.00456136; eV | |||
 | 9-Apr-2025 | /clean surface_635 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.50456537; eV | |||
 | 9-Apr-2025 | /clean surface_636 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.74575271; eV | |||
 | 9-Apr-2025 | /clean surface_637 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.57998458; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1561 to 1580 of 4380
