Primary study2019
Rational modifications of PCN-700 to induce electrical conductivity: A computational study
Chong S., Kim J. · Dalton Transactions · 2019
Reported here: PCN-700-BDC computational reference model
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PCN-700-BDC computational reference model
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2019–2019publication span
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| PCN-700-BDC computational reference model2019 · Rational modifications of PCN-700 to induce electrical conductivity: A computational study | Not specifiedZr6O4(OH)4 zirconium-oxo clusters · PCN-700 framework with BDC installed in z-axial linker positions | 3D · Model SystemDFT-optimised reference linker-installed PCN-700 structure. | main p.5, article p.106 · Electronic properties of PCN-700-DHBQ · Table 1; Fig. S3 |