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1 papers
Zhang T., Si C., Guo K. et al. · Inorganic Chemistry · 2022
Reported here: Cu(I)-TPT computational model
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Cu(I)-TPT computational model2022 · Constructing a Redox-Active Cu(I)-Pyridyltriazine Framework for Catalytic Photoreduction of Nitrobenzenes and Carboxylic Cyclization of Alkynol with CO2 | Cu(I)-TPT modelCu(I) sites in calculated Cu-CN-Cu chains · TPT and cyanide ligands | 2D · Model SystemDensity-of-states and differential-charge-density model used to rationalise electron transport along Cu-CN-Cu chains. | p004 / 20660 · Results and Discussion · Figure 5 |