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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): 681 to 700 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1621 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.02202153; eV | |||
 | 9-Apr-2025 | /clean surface_1622 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.78482993; eV | |||
 | 9-Apr-2025 | /clean surface_1623 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.94052206; eV | |||
 | 9-Apr-2025 | /clean surface_1624 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.87097932; eV | |||
 | 9-Apr-2025 | /clean surface_1625 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.04781325; eV | |||
 | 9-Apr-2025 | /clean surface_1626 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.68030856; eV | |||
 | 9-Apr-2025 | /clean surface_1627 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.89877982; eV | |||
 | 9-Apr-2025 | /clean surface_1628 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.81505436; eV | |||
 | 9-Apr-2025 | /clean surface_1629 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.73808244; eV | |||
 | 9-Apr-2025 | /clean surface_163 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.92795511; eV | |||
 | 9-Apr-2025 | /clean surface_1630 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.45309031; eV | |||
 | 9-Apr-2025 | /clean surface_1631 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.80930476; eV | |||
 | 9-Apr-2025 | /clean surface_1632 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.32883715; eV | |||
 | 9-Apr-2025 | /clean surface_1633 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.11642031; eV | |||
 | 9-Apr-2025 | /clean surface_1634 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.14655206; eV | |||
 | 9-Apr-2025 | /clean surface_1635 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.78942261; eV | |||
 | 9-Apr-2025 | /clean surface_1636 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.39334693; eV | |||
 | 9-Apr-2025 | /clean surface_1637 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.18587479; eV | |||
 | 9-Apr-2025 | /clean surface_1638 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.96933306; eV | |||
 | 9-Apr-2025 | /clean surface_1639 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.76364935; eV |
Collection's Items (Sorted by Submit Date in Descending order): 681 to 700 of 4380
