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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): 3261 to 3280 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /H_surface H_surface_350 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.13860945; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_351 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.18631130; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_352 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.98036402; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_353 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.54773976; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_354 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.20515202; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_355 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.09095972; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_356 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.68482526; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_357 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.61784041; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_358 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.99464985; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_359 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.06725810; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_36 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.84346434; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_360 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.34150333; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_361 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.69972393; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_362 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.38157675; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_363 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.67868010; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_364 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.56411431; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_365 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.14497470; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_366 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.02102033; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_367 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.84746652; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_368 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.84457534; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3261 to 3280 of 4380
