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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): 1741 to 1760 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_782 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.94338630; eV | |||
 | 9-Apr-2025 | /clean surface_783 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.25782488; eV | |||
 | 9-Apr-2025 | /clean surface_784 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.94866012; eV | |||
 | 9-Apr-2025 | /clean surface_785 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.84781653; eV | |||
 | 9-Apr-2025 | /clean surface_786 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.65749921; eV | |||
 | 9-Apr-2025 | /clean surface_787 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.97465508; eV | |||
 | 9-Apr-2025 | /clean surface_788 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.06283685; eV | |||
 | 9-Apr-2025 | /clean surface_789 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.44035286; eV | |||
 | 9-Apr-2025 | /clean surface_79 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.21266566; eV | |||
 | 9-Apr-2025 | /clean surface_790 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.65738199; eV | |||
 | 9-Apr-2025 | /clean surface_791 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.05963435; eV | |||
 | 9-Apr-2025 | /clean surface_792 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.29714070; eV | |||
 | 9-Apr-2025 | /clean surface_793 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.11018616; eV | |||
 | 9-Apr-2025 | /clean surface_794 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.33209643; eV | |||
 | 9-Apr-2025 | /clean surface_795 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.72222070; eV | |||
 | 9-Apr-2025 | /clean surface_796 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.92246851; eV | |||
 | 9-Apr-2025 | /clean surface_797 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.33714323; eV | |||
 | 9-Apr-2025 | /clean surface_798 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.44441396; eV | |||
 | 9-Apr-2025 | /clean surface_799 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.73426137; eV | |||
 | 9-Apr-2025 | /clean surface_8 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.07936117; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1741 to 1760 of 4380
