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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): 761 to 780 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1694 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.36487531; eV | |||
 | 9-Apr-2025 | /clean surface_1695 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.35850142; eV | |||
 | 9-Apr-2025 | /clean surface_1696 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.67770613; eV | |||
 | 9-Apr-2025 | /clean surface_1697 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.34476391; eV | |||
 | 9-Apr-2025 | /clean surface_1698 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.71452581; eV | |||
 | 9-Apr-2025 | /clean surface_1699 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.63864804; eV | |||
 | 9-Apr-2025 | /clean surface_17 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.88898288; eV | |||
 | 9-Apr-2025 | /clean surface_170 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.67173145; eV | |||
 | 9-Apr-2025 | /clean surface_1700 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.99807242; eV | |||
 | 9-Apr-2025 | /clean surface_1701 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.73366177; eV | |||
 | 9-Apr-2025 | /clean surface_1702 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.33429921; eV | |||
 | 9-Apr-2025 | /clean surface_1703 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.54785289; eV | |||
 | 9-Apr-2025 | /clean surface_1704 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.08248950; eV | |||
 | 9-Apr-2025 | /clean surface_1705 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.88359377; eV | |||
 | 9-Apr-2025 | /clean surface_1706 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.89618764; eV | |||
 | 9-Apr-2025 | /clean surface_1707 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.98366556; eV | |||
 | 9-Apr-2025 | /clean surface_1708 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.39094779; eV | |||
 | 9-Apr-2025 | /clean surface_1709 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.23221660; eV | |||
 | 9-Apr-2025 | /clean surface_171 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.84397582; eV | |||
 | 9-Apr-2025 | /clean surface_1710 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.49278240; eV |
Collection's Items (Sorted by Submit Date in Descending order): 761 to 780 of 4380
