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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): 1841 to 1860 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_872 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.91020241; eV | |||
 | 9-Apr-2025 | /clean surface_873 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.23253409; eV | |||
 | 9-Apr-2025 | /clean surface_874 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.68595845; eV | |||
 | 9-Apr-2025 | /clean surface_875 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.34453714; eV | |||
 | 9-Apr-2025 | /clean surface_876 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.18550608; eV | |||
 | 9-Apr-2025 | /clean surface_877 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.71151758; eV | |||
 | 9-Apr-2025 | /clean surface_878 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.50681625; eV | |||
 | 9-Apr-2025 | /clean surface_879 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.90466753; eV | |||
 | 9-Apr-2025 | /clean surface_88 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.56700756; eV | |||
 | 9-Apr-2025 | /clean surface_880 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.08432025; eV | |||
 | 9-Apr-2025 | /clean surface_881 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.64792409; eV | |||
 | 9-Apr-2025 | /clean surface_882 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.11706669; eV | |||
 | 9-Apr-2025 | /clean surface_883 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.75524474; eV | |||
 | 9-Apr-2025 | /clean surface_884 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.91534284; eV | |||
 | 9-Apr-2025 | /clean surface_885 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.86100820; eV | |||
 | 9-Apr-2025 | /clean surface_886 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.61566806; eV | |||
 | 9-Apr-2025 | /clean surface_887 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.72608956; eV | |||
 | 9-Apr-2025 | /clean surface_888 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.75756113; eV | |||
 | 9-Apr-2025 | /clean surface_889 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.93780598; eV | |||
 | 9-Apr-2025 | /clean surface_89 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.02435174; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1841 to 1860 of 4380
