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1 papers
Bairy G., Das P., Dutta B. et al. · Inorganic Chemistry · 2023
Reported here: DFT model of compound 1
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| DFT model of compound 12023 · In Situ Oxidation of Pyridyl-Dihydrobenzoimidazoquinazoline and the Synthesis of a Highly Luminescent Cd(II) Coordination Polymer: A Promising Candidate for Mutagenic Nitroaromatic Detection and Device Fabrication | Model from single-crystal coordinates of [Cd(glu)2(pbiq)2(H2O)]nCd(II) · pbiq and glutarate | 1D · Model SystemGeometry optimised using DFT-B3LYP from single-crystal coordinate parameters. | p003 / journal page 12775 · Theoretical Calculations |