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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): 1601 to 1620 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_656 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.63380277; eV | |||
 | 9-Apr-2025 | /clean surface_657 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.49955199; eV | |||
 | 9-Apr-2025 | /clean surface_658 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.06910680; eV | |||
 | 9-Apr-2025 | /clean surface_659 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.68906938; eV | |||
 | 9-Apr-2025 | /clean surface_66 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.88707987; eV | |||
 | 9-Apr-2025 | /clean surface_660 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.96580297; eV | |||
 | 9-Apr-2025 | /clean surface_661 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.73927867; eV | |||
 | 9-Apr-2025 | /clean surface_662 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.78627828; eV | |||
 | 9-Apr-2025 | /clean surface_663 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.92662873; eV | |||
 | 9-Apr-2025 | /clean surface_664 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.04608451; eV | |||
 | 9-Apr-2025 | /clean surface_665 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.19612626; eV | |||
 | 9-Apr-2025 | /clean surface_666 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.95591044; eV | |||
 | 9-Apr-2025 | /clean surface_667 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.03659299; eV | |||
 | 9-Apr-2025 | /clean surface_668 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.22775033; eV | |||
 | 9-Apr-2025 | /clean surface_669 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.79339452; eV | |||
 | 9-Apr-2025 | /clean surface_67 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.83563975; eV | |||
 | 9-Apr-2025 | /clean surface_670 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.58094189; eV | |||
 | 9-Apr-2025 | /clean surface_671 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.63020029; eV | |||
 | 9-Apr-2025 | /clean surface_672 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.87783562; eV | |||
 | 9-Apr-2025 | /clean surface_673 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.97723545; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1601 to 1620 of 4380
