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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): 1281 to 1300 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_368 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.85771237; eV | |||
 | 9-Apr-2025 | /clean surface_369 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.52812248; eV | |||
 | 9-Apr-2025 | /clean surface_37 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.43603773; eV | |||
 | 9-Apr-2025 | /clean surface_370 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.70973755; eV | |||
 | 9-Apr-2025 | /clean surface_371 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.96771228; eV | |||
 | 9-Apr-2025 | /clean surface_372 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.95888309; eV | |||
 | 9-Apr-2025 | /clean surface_373 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.75686758; eV | |||
 | 9-Apr-2025 | /clean surface_374 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.78895108; eV | |||
 | 9-Apr-2025 | /clean surface_375 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.05976969; eV | |||
 | 9-Apr-2025 | /clean surface_376 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.53004970; eV | |||
 | 9-Apr-2025 | /clean surface_377 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.15272379; eV | |||
 | 9-Apr-2025 | /clean surface_378 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.01041982; eV | |||
 | 9-Apr-2025 | /clean surface_379 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.28257648; eV | |||
 | 9-Apr-2025 | /clean surface_38 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.62798163; eV | |||
 | 9-Apr-2025 | /clean surface_380 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.80953756; eV | |||
 | 9-Apr-2025 | /clean surface_381 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.82187273; eV | |||
 | 9-Apr-2025 | /clean surface_382 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.04240226; eV | |||
 | 9-Apr-2025 | /clean surface_383 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.15493075; eV | |||
 | 9-Apr-2025 | /clean surface_384 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.64663672; eV | |||
 | 9-Apr-2025 | /clean surface_385 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.66531252; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1281 to 1300 of 4380
