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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): 801 to 820 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_173 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.12476361; eV | |||
 | 9-Apr-2025 | /clean surface_1730 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.71549828; eV | |||
 | 9-Apr-2025 | /clean surface_1731 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.77609906; eV | |||
 | 9-Apr-2025 | /clean surface_1732 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.38236467; eV | |||
 | 9-Apr-2025 | /clean surface_1733 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.57917627; eV | |||
 | 9-Apr-2025 | /clean surface_1734 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.87241313; eV | |||
 | 9-Apr-2025 | /clean surface_1735 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.04388000; eV | |||
 | 9-Apr-2025 | /clean surface_1736 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.44480705; eV | |||
 | 9-Apr-2025 | /clean surface_1737 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.22851406; eV | |||
 | 9-Apr-2025 | /clean surface_1738 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.99974717; eV | |||
 | 9-Apr-2025 | /clean surface_1739 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.05049220; eV | |||
 | 9-Apr-2025 | /clean surface_174 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.91058825; eV | |||
 | 9-Apr-2025 | /clean surface_1740 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.75464311; eV | |||
 | 9-Apr-2025 | /clean surface_1741 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.97127498; eV | |||
 | 9-Apr-2025 | /clean surface_1742 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.69883404; eV | |||
 | 9-Apr-2025 | /clean surface_1743 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.65235179; eV | |||
 | 9-Apr-2025 | /clean surface_1744 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.07285177; eV | |||
 | 9-Apr-2025 | /clean surface_1745 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.36423369; eV | |||
 | 9-Apr-2025 | /clean surface_1746 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.27925017; eV | |||
 | 9-Apr-2025 | /clean surface_1747 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.90055159; eV |
Collection's Items (Sorted by Submit Date in Descending order): 801 to 820 of 4380
