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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): 1661 to 1680 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_71 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.94072006; eV | |||
 | 9-Apr-2025 | /clean surface_710 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.96387421; eV | |||
 | 9-Apr-2025 | /clean surface_711 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.05501520; eV | |||
 | 9-Apr-2025 | /clean surface_712 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.51913799; eV | |||
 | 9-Apr-2025 | /clean surface_713 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.46770622; eV | |||
 | 9-Apr-2025 | /clean surface_714 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.15429362; eV | |||
 | 9-Apr-2025 | /clean surface_715 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.60984216; eV | |||
 | 9-Apr-2025 | /clean surface_716 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.01254575; eV | |||
 | 9-Apr-2025 | /clean surface_717 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.55372216; eV | |||
 | 9-Apr-2025 | /clean surface_718 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.95695053; eV | |||
 | 9-Apr-2025 | /clean surface_719 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.12340523; eV | |||
 | 9-Apr-2025 | /clean surface_72 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.35222652; eV | |||
 | 9-Apr-2025 | /clean surface_720 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.12841649; eV | |||
 | 9-Apr-2025 | /clean surface_721 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.38709844; eV | |||
 | 9-Apr-2025 | /clean surface_722 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.09840744; eV | |||
 | 9-Apr-2025 | /clean surface_723 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.41838248; eV | |||
 | 9-Apr-2025 | /clean surface_724 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.74746571; eV | |||
 | 9-Apr-2025 | /clean surface_725 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.16938201; eV | |||
 | 9-Apr-2025 | /clean surface_726 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.92582831; eV | |||
 | 9-Apr-2025 | /clean surface_727 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.58965926; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1661 to 1680 of 4380
