Primary study2019
Rational modifications of PCN-700 to induce electrical conductivity: A computational study
Chong S., Kim J. · Dalton Transactions · 2019
Reported here: Reduced linker saturated Ce-PCN-700-DHBQ computational model
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Reduced linker saturated Ce-PCN-700-DHBQ computational model
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2019–2019publication span
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Reduced linker saturated Ce-PCN-700-DHBQ computational model2019 · Rational modifications of PCN-700 to induce electrical conductivity: A computational study | Not specifiedCe-substituted PCN-700 metal clusters · DHBQ at all available linker vacant sites, with x/y-axial DHBQ linkers expressed as dianions | 3D · Model SystemGeometry-optimised reduced x/y-axial DHBQ variant of linker saturated Ce-PCN-700-DHBQ. | main p.10, article p.111 · Linker saturation · Fig. S5 |