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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): 1241 to 1260 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_331 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.54214865; eV | |||
 | 9-Apr-2025 | /clean surface_332 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.23930341; eV | |||
 | 9-Apr-2025 | /clean surface_333 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.60310577; eV | |||
 | 9-Apr-2025 | /clean surface_334 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.51638824; eV | |||
 | 9-Apr-2025 | /clean surface_335 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.68616569; eV | |||
 | 9-Apr-2025 | /clean surface_336 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.67006324; eV | |||
 | 9-Apr-2025 | /clean surface_337 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.97335873; eV | |||
 | 9-Apr-2025 | /clean surface_338 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.15914534; eV | |||
 | 9-Apr-2025 | /clean surface_339 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.26419446; eV | |||
 | 9-Apr-2025 | /clean surface_34 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.89954199; eV | |||
 | 9-Apr-2025 | /clean surface_340 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.47358467; eV | |||
 | 9-Apr-2025 | /clean surface_341 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.43409999; eV | |||
 | 9-Apr-2025 | /clean surface_342 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.77947074; eV | |||
 | 9-Apr-2025 | /clean surface_343 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.05248093; eV | |||
 | 9-Apr-2025 | /clean surface_344 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.88941477; eV | |||
 | 9-Apr-2025 | /clean surface_345 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.20410569; eV | |||
 | 9-Apr-2025 | /clean surface_346 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.46158123; eV | |||
 | 9-Apr-2025 | /clean surface_347 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.39019397; eV | |||
 | 9-Apr-2025 | /clean surface_348 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.54434533; eV | |||
 | 9-Apr-2025 | /clean surface_349 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.04808287; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1241 to 1260 of 4380
