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1 papers
Kohn J.T., Gildemeister N., Grimme S. et al. · Journal of Chemical Physics · 2023
Reported here: Pd-linked anthracene C60 metal-organic cage model
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Pd-linked anthracene C60 metal-organic cage model2023 · Efficient calculation of electronic coupling integrals with the dimer projection method via a density matrix tight-binding potential | Pd-linked anthracene cage encapsulating C60Palladium linkages in an organic cage · Anthracene panels; encapsulated C60 guest | 0D · Model SystemGFN2-xTB/ALPB(CHCl3)-optimised host-guest metal-organic cage; described by the authors as a one-dimensional variant of MOFs. | PDF p8 / article p.144106-7 · V.C. Challenging systems · Figure 6 |