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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): 3241 to 3260 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_332 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.17809033; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_333 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.70022925; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_334 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.45415128; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_335 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.33976316; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_336 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.43519170; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_337 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.71636276; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_338 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.20530598; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_339 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.55553863; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_34 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.67334953; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_340 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.00689637; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_341 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.27053590; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_342 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.41559528; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_343 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.27720074; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_344 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.34739520; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_345 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.98765362; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_346 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.24774126; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_347 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.72322154; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_348 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.60833337; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_349 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.01248267; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_35 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.67488065; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3241 to 3260 of 4380
