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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): 1341 to 1360 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_421 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.12407859; eV | |||
 | 9-Apr-2025 | /clean surface_422 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.09260961; eV | |||
 | 9-Apr-2025 | /clean surface_423 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.57764365; eV | |||
 | 9-Apr-2025 | /clean surface_424 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.18211701; eV | |||
 | 9-Apr-2025 | /clean surface_425 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.58806689; eV | |||
 | 9-Apr-2025 | /clean surface_426 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.98433168; eV | |||
 | 9-Apr-2025 | /clean surface_427 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.07547199; eV | |||
 | 9-Apr-2025 | /clean surface_428 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.72124003; eV | |||
 | 9-Apr-2025 | /clean surface_429 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.55441192; eV | |||
 | 9-Apr-2025 | /clean surface_43 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.43112099; eV | |||
 | 9-Apr-2025 | /clean surface_430 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.22666907; eV | |||
 | 9-Apr-2025 | /clean surface_431 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.33287763; eV | |||
 | 9-Apr-2025 | /clean surface_432 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.77876993; eV | |||
 | 9-Apr-2025 | /clean surface_433 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.61938557; eV | |||
 | 9-Apr-2025 | /clean surface_434 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.81073181; eV | |||
 | 9-Apr-2025 | /clean surface_435 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.83474637; eV | |||
 | 9-Apr-2025 | /clean surface_436 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.16507030; eV | |||
 | 9-Apr-2025 | /clean surface_437 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.68982485; eV | |||
 | 9-Apr-2025 | /clean surface_438 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.09636062; eV | |||
 | 9-Apr-2025 | /clean surface_439 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.55778846; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1341 to 1360 of 4380
