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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): 1501 to 1520 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_566 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.35882662; eV | |||
 | 9-Apr-2025 | /clean surface_567 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.79161673; eV | |||
 | 9-Apr-2025 | /clean surface_568 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.61832521; eV | |||
 | 9-Apr-2025 | /clean surface_569 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.22614534; eV | |||
 | 9-Apr-2025 | /clean surface_57 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.35117502; eV | |||
 | 9-Apr-2025 | /clean surface_570 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.63562708; eV | |||
 | 9-Apr-2025 | /clean surface_571 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.32486063; eV | |||
 | 9-Apr-2025 | /clean surface_572 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.33629983; eV | |||
 | 9-Apr-2025 | /clean surface_573 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.20901246; eV | |||
 | 9-Apr-2025 | /clean surface_574 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.64933859; eV | |||
 | 9-Apr-2025 | /clean surface_575 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.03974801; eV | |||
 | 9-Apr-2025 | /clean surface_576 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.06949491; eV | |||
 | 9-Apr-2025 | /clean surface_577 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.29239776; eV | |||
 | 9-Apr-2025 | /clean surface_578 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.81028503; eV | |||
 | 9-Apr-2025 | /clean surface_579 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.83978766; eV | |||
 | 9-Apr-2025 | /clean surface_58 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.43369530; eV | |||
 | 9-Apr-2025 | /clean surface_580 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.66758689; eV | |||
 | 9-Apr-2025 | /clean surface_581 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.98829369; eV | |||
 | 9-Apr-2025 | /clean surface_582 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.38982017; eV | |||
 | 9-Apr-2025 | /clean surface_583 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.42064385; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1501 to 1520 of 4380
