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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): 1481 to 1500 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_548 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.40686785; eV | |||
 | 9-Apr-2025 | /clean surface_549 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.58546871; eV | |||
 | 9-Apr-2025 | /clean surface_55 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.04657057; eV | |||
 | 9-Apr-2025 | /clean surface_550 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.44818281; eV | |||
 | 9-Apr-2025 | /clean surface_551 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.64433249; eV | |||
 | 9-Apr-2025 | /clean surface_552 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.42615546; eV | |||
 | 9-Apr-2025 | /clean surface_553 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.31794328; eV | |||
 | 9-Apr-2025 | /clean surface_554 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.39848764; eV | |||
 | 9-Apr-2025 | /clean surface_555 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.61428624; eV | |||
 | 9-Apr-2025 | /clean surface_556 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.12062837; eV | |||
 | 9-Apr-2025 | /clean surface_557 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.38260045; eV | |||
 | 9-Apr-2025 | /clean surface_558 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.36444291; eV | |||
 | 9-Apr-2025 | /clean surface_559 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.95451006; eV | |||
 | 9-Apr-2025 | /clean surface_56 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.10529250; eV | |||
 | 9-Apr-2025 | /clean surface_560 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.71514240; eV | |||
 | 9-Apr-2025 | /clean surface_561 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.87600572; eV | |||
 | 9-Apr-2025 | /clean surface_562 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.06182388; eV | |||
 | 9-Apr-2025 | /clean surface_563 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.95227549; eV | |||
 | 9-Apr-2025 | /clean surface_564 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.55468970; eV | |||
 | 9-Apr-2025 | /clean surface_565 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.96231588; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1481 to 1500 of 4380
