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1 papers
Zhang J., Kosaka W., Liu Q. et al. · Journal of the American Chemical Society · 2023
Reported here: DFT model of [{TCNQ(OEt)2 radical}-{Ru(2)2(II,II)}-{TCNQ(OEt)2 radical}]2-
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| DFT model of [{TCNQ(OEt)2 radical}-{Ru(2)2(II,II)}-{TCNQ(OEt)2 radical}]2-2023 · CO2-Sensitive Porous Magnet: Antiferromagnet Creation from a Paramagnetic Charge-Transfer Layered Metal-Organic Framework | [{TCNQ(OEt)2*-}-{Ru(2)2II,II}-{TCNQ(OEt)2*-}]2- model[Ru(2)2(II,II)] model unit · Two TCNQ(OEt)2 radical-anion moieties with or without nearby CO2 molecules | 0D · Model SystemDiscrete site-A and site-B computational models constructed from SCXRD coordinates for 1-CO2. | p005 · Structural Characterization of 1-CO2 · Figure S14; Table S3 |