Primary study2020
Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework
Chen G., Gee L.B., Xu W. et al. · Journal of the American Chemical Society · 2020
Reported here: FeTHQ DFT model
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FeTHQ DFT model
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2020–2020publication span
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| FeTHQ DFT model2020 · Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework | Fe8(C6O6)6 model frameworkFe and O atoms in the crystallographic FeTHQ framework · C6O6 / THQ-derived linker in the model framework | 3D · Model SystemPeriodic DFT model based on the refined cubic FeTHQ framework. | 21244 · main text · Figure 3 |