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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): 1221 to 1240 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_313 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.98258732; eV | |||
 | 9-Apr-2025 | /clean surface_314 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.67334124; eV | |||
 | 9-Apr-2025 | /clean surface_315 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.98004159; eV | |||
 | 9-Apr-2025 | /clean surface_316 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.38018956; eV | |||
 | 9-Apr-2025 | /clean surface_317 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.43894410; eV | |||
 | 9-Apr-2025 | /clean surface_318 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.73515466; eV | |||
 | 9-Apr-2025 | /clean surface_319 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.87073644; eV | |||
 | 9-Apr-2025 | /clean surface_32 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.03221512; eV | |||
 | 9-Apr-2025 | /clean surface_320 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.75158757; eV | |||
 | 9-Apr-2025 | /clean surface_321 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.72414059; eV | |||
 | 9-Apr-2025 | /clean surface_322 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.57129880; eV | |||
 | 9-Apr-2025 | /clean surface_323 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.88576193; eV | |||
 | 9-Apr-2025 | /clean surface_324 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.39479378; eV | |||
 | 9-Apr-2025 | /clean surface_325 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.49352642; eV | |||
 | 9-Apr-2025 | /clean surface_326 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.90309693; eV | |||
 | 9-Apr-2025 | /clean surface_327 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.36769846; eV | |||
 | 9-Apr-2025 | /clean surface_328 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.20780742; eV | |||
 | 9-Apr-2025 | /clean surface_329 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.99976291; eV | |||
 | 9-Apr-2025 | /clean surface_33 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.77194507; eV | |||
 | 9-Apr-2025 | /clean surface_330 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.00338611; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1221 to 1240 of 4380
