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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): 1721 to 1740 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_764 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.64565009; eV | |||
 | 9-Apr-2025 | /clean surface_765 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.25294953; eV | |||
 | 9-Apr-2025 | /clean surface_766 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.10560958; eV | |||
 | 9-Apr-2025 | /clean surface_767 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.55298170; eV | |||
 | 9-Apr-2025 | /clean surface_768 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.40007889; eV | |||
 | 9-Apr-2025 | /clean surface_769 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.15141976; eV | |||
 | 9-Apr-2025 | /clean surface_77 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.54545341; eV | |||
 | 9-Apr-2025 | /clean surface_770 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.81331281; eV | |||
 | 9-Apr-2025 | /clean surface_771 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.83595137; eV | |||
 | 9-Apr-2025 | /clean surface_772 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.15604895; eV | |||
 | 9-Apr-2025 | /clean surface_773 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.78437154; eV | |||
 | 9-Apr-2025 | /clean surface_774 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.65545408; eV | |||
 | 9-Apr-2025 | /clean surface_775 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.55811509; eV | |||
 | 9-Apr-2025 | /clean surface_776 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.33966694; eV | |||
 | 9-Apr-2025 | /clean surface_777 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.40005563; eV | |||
 | 9-Apr-2025 | /clean surface_778 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.04054408; eV | |||
 | 9-Apr-2025 | /clean surface_779 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.65261376; eV | |||
 | 9-Apr-2025 | /clean surface_78 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.84489563; eV | |||
 | 9-Apr-2025 | /clean surface_780 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.00306579; eV | |||
 | 9-Apr-2025 | /clean surface_781 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.21668786; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1721 to 1740 of 4380
