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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): 1881 to 1900 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_908 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.86069062; eV | |||
 | 9-Apr-2025 | /clean surface_909 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.39955791; eV | |||
 | 9-Apr-2025 | /clean surface_91 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.90581639; eV | |||
 | 9-Apr-2025 | /clean surface_910 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.99217271; eV | |||
 | 9-Apr-2025 | /clean surface_911 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.85409488; eV | |||
 | 9-Apr-2025 | /clean surface_912 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.85544964; eV | |||
 | 9-Apr-2025 | /clean surface_913 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.65888698; eV | |||
 | 9-Apr-2025 | /clean surface_914 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.80568458; eV | |||
 | 9-Apr-2025 | /clean surface_915 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.60532634; eV | |||
 | 9-Apr-2025 | /clean surface_916 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.51073342; eV | |||
 | 9-Apr-2025 | /clean surface_917 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.01176093; eV | |||
 | 9-Apr-2025 | /clean surface_918 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.52110847; eV | |||
 | 9-Apr-2025 | /clean surface_919 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.18514634; eV | |||
 | 9-Apr-2025 | /clean surface_92 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.90651294; eV | |||
 | 9-Apr-2025 | /clean surface_920 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.27899642; eV | |||
 | 9-Apr-2025 | /clean surface_921 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.22601949; eV | |||
 | 9-Apr-2025 | /clean surface_922 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.50552899; eV | |||
 | 9-Apr-2025 | /clean surface_923 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.74561611; eV | |||
 | 9-Apr-2025 | /clean surface_924 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.79018390; eV | |||
 | 9-Apr-2025 | /clean surface_925 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.17055896; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1881 to 1900 of 4380
