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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): 781 to 800 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1711 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.41683121; eV | |||
 | 9-Apr-2025 | /clean surface_1712 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.57055658; eV | |||
 | 9-Apr-2025 | /clean surface_1713 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.50041478; eV | |||
 | 9-Apr-2025 | /clean surface_1714 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.59398518; eV | |||
 | 9-Apr-2025 | /clean surface_1715 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.40283042; eV | |||
 | 9-Apr-2025 | /clean surface_1716 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.23655683; eV | |||
 | 9-Apr-2025 | /clean surface_1717 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.15338612; eV | |||
 | 9-Apr-2025 | /clean surface_1718 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.32966473; eV | |||
 | 9-Apr-2025 | /clean surface_1719 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.53571743; eV | |||
 | 9-Apr-2025 | /clean surface_172 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.40270040; eV | |||
 | 9-Apr-2025 | /clean surface_1720 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.88042273; eV | |||
 | 9-Apr-2025 | /clean surface_1721 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.66072391; eV | |||
 | 9-Apr-2025 | /clean surface_1722 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.92386426; eV | |||
 | 9-Apr-2025 | /clean surface_1723 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.37268339; eV | |||
 | 9-Apr-2025 | /clean surface_1724 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.74372074; eV | |||
 | 9-Apr-2025 | /clean surface_1725 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.60490295; eV | |||
 | 9-Apr-2025 | /clean surface_1726 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.22237912; eV | |||
 | 9-Apr-2025 | /clean surface_1727 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.59674490; eV | |||
 | 9-Apr-2025 | /clean surface_1728 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.27691707; eV | |||
 | 9-Apr-2025 | /clean surface_1729 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.62089452; eV |
Collection's Items (Sorted by Submit Date in Descending order): 781 to 800 of 4380
