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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): 1761 to 1780 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_80 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.20694896; eV | |||
 | 9-Apr-2025 | /clean surface_800 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.65151877; eV | |||
 | 9-Apr-2025 | /clean surface_801 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.35578759; eV | |||
 | 9-Apr-2025 | /clean surface_802 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.87515933; eV | |||
 | 9-Apr-2025 | /clean surface_803 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.05402284; eV | |||
 | 9-Apr-2025 | /clean surface_804 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.49637068; eV | |||
 | 9-Apr-2025 | /clean surface_805 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.50709692; eV | |||
 | 9-Apr-2025 | /clean surface_806 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.57750699; eV | |||
 | 9-Apr-2025 | /clean surface_807 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.64154839; eV | |||
 | 9-Apr-2025 | /clean surface_808 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.46259159; eV | |||
 | 9-Apr-2025 | /clean surface_809 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.13686120; eV | |||
 | 9-Apr-2025 | /clean surface_81 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.77286396; eV | |||
 | 9-Apr-2025 | /clean surface_810 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.16641740; eV | |||
 | 9-Apr-2025 | /clean surface_811 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.28413435; eV | |||
 | 9-Apr-2025 | /clean surface_812 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.31969571; eV | |||
 | 9-Apr-2025 | /clean surface_813 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.02978018; eV | |||
 | 9-Apr-2025 | /clean surface_814 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.60921128; eV | |||
 | 9-Apr-2025 | /clean surface_815 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.61719343; eV | |||
 | 9-Apr-2025 | /clean surface_816 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.06978297; eV | |||
 | 9-Apr-2025 | /clean surface_817 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.75883742; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1761 to 1780 of 4380
