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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): 1801 to 1820 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_836 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.06664800; eV | |||
 | 9-Apr-2025 | /clean surface_837 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.18677432; eV | |||
 | 9-Apr-2025 | /clean surface_838 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.36504383; eV | |||
 | 9-Apr-2025 | /clean surface_839 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.25952792; eV | |||
 | 9-Apr-2025 | /clean surface_84 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.65988389; eV | |||
 | 9-Apr-2025 | /clean surface_840 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.51725153; eV | |||
 | 9-Apr-2025 | /clean surface_841 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.25782891; eV | |||
 | 9-Apr-2025 | /clean surface_842 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.33140817; eV | |||
 | 9-Apr-2025 | /clean surface_843 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.66049046; eV | |||
 | 9-Apr-2025 | /clean surface_844 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.52909358; eV | |||
 | 9-Apr-2025 | /clean surface_845 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.04236851; eV | |||
 | 9-Apr-2025 | /clean surface_846 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.41002522; eV | |||
 | 9-Apr-2025 | /clean surface_847 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.76690149; eV | |||
 | 9-Apr-2025 | /clean surface_848 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.79891283; eV | |||
 | 9-Apr-2025 | /clean surface_849 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.56111393; eV | |||
 | 9-Apr-2025 | /clean surface_85 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.25048487; eV | |||
 | 9-Apr-2025 | /clean surface_850 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.32142549; eV | |||
 | 9-Apr-2025 | /clean surface_851 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.57266145; eV | |||
 | 9-Apr-2025 | /clean surface_852 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.96475689; eV | |||
 | 9-Apr-2025 | /clean surface_853 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.74425534; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1801 to 1820 of 4380
