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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): 1401 to 1420 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_476 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.97857727; eV | |||
 | 9-Apr-2025 | /clean surface_477 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.82663959; eV | |||
 | 9-Apr-2025 | /clean surface_478 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.95442757; eV | |||
 | 9-Apr-2025 | /clean surface_479 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.55633281; eV | |||
 | 9-Apr-2025 | /clean surface_48 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.40579953; eV | |||
 | 9-Apr-2025 | /clean surface_480 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.95671066; eV | |||
 | 9-Apr-2025 | /clean surface_481 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.70078680; eV | |||
 | 9-Apr-2025 | /clean surface_482 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.03595402; eV | |||
 | 9-Apr-2025 | /clean surface_483 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.71110786; eV | |||
 | 9-Apr-2025 | /clean surface_484 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.19016889; eV | |||
 | 9-Apr-2025 | /clean surface_485 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.44911009; eV | |||
 | 9-Apr-2025 | /clean surface_486 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.99211744; eV | |||
 | 9-Apr-2025 | /clean surface_487 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.72137173; eV | |||
 | 9-Apr-2025 | /clean surface_488 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.61592107; eV | |||
 | 9-Apr-2025 | /clean surface_489 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.18922968; eV | |||
 | 9-Apr-2025 | /clean surface_49 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.78993265; eV | |||
 | 9-Apr-2025 | /clean surface_490 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.11892851; eV | |||
 | 9-Apr-2025 | /clean surface_491 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.68842642; eV | |||
 | 9-Apr-2025 | /clean surface_492 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.47397910; eV | |||
 | 9-Apr-2025 | /clean surface_493 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.81625915; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1401 to 1420 of 4380
