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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): 841 to 860 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1766 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.56308197; eV | |||
 | 9-Apr-2025 | /clean surface_1767 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.60669661; eV | |||
 | 9-Apr-2025 | /clean surface_1768 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.55094867; eV | |||
 | 9-Apr-2025 | /clean surface_1769 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.68213357; eV | |||
 | 9-Apr-2025 | /clean surface_177 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.31765509; eV | |||
 | 9-Apr-2025 | /clean surface_1770 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.33708909; eV | |||
 | 9-Apr-2025 | /clean surface_1771 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.81725866; eV | |||
 | 9-Apr-2025 | /clean surface_1772 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.41439786; eV | |||
 | 9-Apr-2025 | /clean surface_1773 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.18168690; eV | |||
 | 9-Apr-2025 | /clean surface_1774 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.32891031; eV | |||
 | 9-Apr-2025 | /clean surface_1775 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.87492188; eV | |||
 | 9-Apr-2025 | /clean surface_1776 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.85151180; eV | |||
 | 9-Apr-2025 | /clean surface_1777 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.26738336; eV | |||
 | 9-Apr-2025 | /clean surface_1778 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.55405086; eV | |||
 | 9-Apr-2025 | /clean surface_1779 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.51223926; eV | |||
 | 9-Apr-2025 | /clean surface_178 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.28392341; eV | |||
 | 9-Apr-2025 | /clean surface_1780 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.62032116; eV | |||
 | 9-Apr-2025 | /clean surface_1781 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.36468824; eV | |||
 | 9-Apr-2025 | /clean surface_1782 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.72485850; eV | |||
 | 9-Apr-2025 | /clean surface_1783 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.26693269; eV |
Collection's Items (Sorted by Submit Date in Descending order): 841 to 860 of 4380
