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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): 1901 to 1920 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_926 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.59380428; eV | |||
 | 9-Apr-2025 | /clean surface_927 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.27182802; eV | |||
 | 9-Apr-2025 | /clean surface_928 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.42940527; eV | |||
 | 9-Apr-2025 | /clean surface_929 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.64772117; eV | |||
 | 9-Apr-2025 | /clean surface_93 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.38224443; eV | |||
 | 9-Apr-2025 | /clean surface_930 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.90132562; eV | |||
 | 9-Apr-2025 | /clean surface_931 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.99905927; eV | |||
 | 9-Apr-2025 | /clean surface_932 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.23040960; eV | |||
 | 9-Apr-2025 | /clean surface_933 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.27455626; eV | |||
 | 9-Apr-2025 | /clean surface_934 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.24681619; eV | |||
 | 9-Apr-2025 | /clean surface_935 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.01893595; eV | |||
 | 9-Apr-2025 | /clean surface_936 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.96315614; eV | |||
 | 9-Apr-2025 | /clean surface_937 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.15688599; eV | |||
 | 9-Apr-2025 | /clean surface_938 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.78002517; eV | |||
 | 9-Apr-2025 | /clean surface_939 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.19595648; eV | |||
 | 9-Apr-2025 | /clean surface_94 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.37172606; eV | |||
 | 9-Apr-2025 | /clean surface_940 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.94636820; eV | |||
 | 9-Apr-2025 | /clean surface_941 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.52960626; eV | |||
 | 9-Apr-2025 | /clean surface_942 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.41451366; eV | |||
 | 9-Apr-2025 | /clean surface_943 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.94081974; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1901 to 1920 of 4380
