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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): 1701 to 1720 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_746 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.09083808; eV | |||
 | 9-Apr-2025 | /clean surface_747 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.25762528; eV | |||
 | 9-Apr-2025 | /clean surface_748 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.91739301; eV | |||
 | 9-Apr-2025 | /clean surface_749 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.18119444; eV | |||
 | 9-Apr-2025 | /clean surface_75 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.89165748; eV | |||
 | 9-Apr-2025 | /clean surface_750 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.12324645; eV | |||
 | 9-Apr-2025 | /clean surface_751 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.80988617; eV | |||
 | 9-Apr-2025 | /clean surface_752 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.61532768; eV | |||
 | 9-Apr-2025 | /clean surface_753 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.71094419; eV | |||
 | 9-Apr-2025 | /clean surface_754 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.98511513; eV | |||
 | 9-Apr-2025 | /clean surface_755 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.42635928; eV | |||
 | 9-Apr-2025 | /clean surface_756 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.55574700; eV | |||
 | 9-Apr-2025 | /clean surface_757 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.39554390; eV | |||
 | 9-Apr-2025 | /clean surface_758 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.96154804; eV | |||
 | 9-Apr-2025 | /clean surface_759 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.43281865; eV | |||
 | 9-Apr-2025 | /clean surface_76 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.39608464; eV | |||
 | 9-Apr-2025 | /clean surface_760 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.31909871; eV | |||
 | 9-Apr-2025 | /clean surface_761 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.91183606; eV | |||
 | 9-Apr-2025 | /clean surface_762 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.64426579; eV | |||
 | 9-Apr-2025 | /clean surface_763 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.03526188; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1701 to 1720 of 4380
