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1 papers
Zhang Y., Dong L.-Z., Li S. et al. · Nature Communications · 2021
Reported here: DFT fragment model of porphyrin Cu-N4 site in Cu-TTCOF
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| DFT fragment model of porphyrin Cu-N4 site in Cu-TTCOF2021 · Coordination environment dependent selectivity of single-site-Cu enriched crystalline porous catalysts in CO2 reduction to CH4 | fragment modelporphyrin Cu-N4 active site fragment · Cu-TTCOF porphyrin fragment | 0D · Model SystemReoptimised fragment extracted from Cu-TTCOF crystal structure. | p007-p008 text layer · Computational methods; structure models · Fig. 4a; coordinate section |