Primary study2022
Millimeter-scale semiconductive metal-organic framework single crystal for X-ray imaging
Cheng L., Liang C., Li B. et al. · Cell Reports Physical Science · 2022
Reported here: SCU-15 periodic DFT model
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SCU-15 periodic DFT model
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2022–2022publication span
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| SCU-15 periodic DFT model2022 · Millimeter-scale semiconductive metal-organic framework single crystal for X-ray imaging | SCU-15 unit cell model based on experimental SC-XRD/CIF dataUranyl uranium sites from the experimental SCU-15 structure · Disulfide-linked carboxylate ligands from the experimental SCU-15 structure | 2D · Model SystemPeriodic computational model with lattice parameters and atomic configurations kept consistent with experimental SC-XRD data. | main p.9 · Computation methods · Figure S8 |