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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): 1161 to 1180 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_26 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.28288167; eV | |||
 | 9-Apr-2025 | /clean surface_260 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.05688496; eV | |||
 | 9-Apr-2025 | /clean surface_261 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.48169823; eV | |||
 | 9-Apr-2025 | /clean surface_262 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.19980291; eV | |||
 | 9-Apr-2025 | /clean surface_263 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.93976167; eV | |||
 | 9-Apr-2025 | /clean surface_264 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.29359406; eV | |||
 | 9-Apr-2025 | /clean surface_265 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.45198598; eV | |||
 | 9-Apr-2025 | /clean surface_266 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.51944662; eV | |||
 | 9-Apr-2025 | /clean surface_267 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.04844737; eV | |||
 | 9-Apr-2025 | /clean surface_268 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.74300761; eV | |||
 | 9-Apr-2025 | /clean surface_269 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.14323039; eV | |||
 | 9-Apr-2025 | /clean surface_27 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.01826120; eV | |||
 | 9-Apr-2025 | /clean surface_270 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.32215515; eV | |||
 | 9-Apr-2025 | /clean surface_271 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.39851781; eV | |||
 | 9-Apr-2025 | /clean surface_272 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.65516511; eV | |||
 | 9-Apr-2025 | /clean surface_273 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.93622724; eV | |||
 | 9-Apr-2025 | /clean surface_274 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.24049702; eV | |||
 | 9-Apr-2025 | /clean surface_275 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.16683100; eV | |||
 | 9-Apr-2025 | /clean surface_276 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.94549218; eV | |||
 | 9-Apr-2025 | /clean surface_277 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.44734157; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1161 to 1180 of 4380
