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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): 861 to 880 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1784 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.23396152; eV | |||
 | 9-Apr-2025 | /clean surface_1785 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.54180907; eV | |||
 | 9-Apr-2025 | /clean surface_1786 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.10329742; eV | |||
 | 9-Apr-2025 | /clean surface_1787 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.62480669; eV | |||
 | 9-Apr-2025 | /clean surface_1788 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.10189647; eV | |||
 | 9-Apr-2025 | /clean surface_1789 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.58654071; eV | |||
 | 9-Apr-2025 | /clean surface_179 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.95024975; eV | |||
 | 9-Apr-2025 | /clean surface_1790 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.89788446; eV | |||
 | 9-Apr-2025 | /clean surface_1791 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.88200817; eV | |||
 | 9-Apr-2025 | /clean surface_1792 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.66748943; eV | |||
 | 9-Apr-2025 | /clean surface_1793 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.10626030; eV | |||
 | 9-Apr-2025 | /clean surface_1794 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.96090946; eV | |||
 | 9-Apr-2025 | /clean surface_1795 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.77127743; eV | |||
 | 9-Apr-2025 | /clean surface_1796 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.91972445; eV | |||
 | 9-Apr-2025 | /clean surface_1797 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.09200748; eV | |||
 | 9-Apr-2025 | /clean surface_1798 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.18495342; eV | |||
 | 9-Apr-2025 | /clean surface_1799 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.58011295; eV | |||
 | 9-Apr-2025 | /clean surface_18 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.04007731; eV | |||
 | 9-Apr-2025 | /clean surface_180 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.25319675; eV | |||
 | 9-Apr-2025 | /clean surface_1800 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.74336089; eV |
Collection's Items (Sorted by Submit Date in Descending order): 861 to 880 of 4380
