Chemical Structure from Scientific Research

Open access visualization of Chemical Structure, X-ray Solid-State Structure, DFT, Thermal Ellipsoids, Bond Lengths
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DOI: 10.1002/anie.202318283

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Comparison between X-ray solid-state structure of 1 b (left) and DFT (SMD(THF)/B3LYP-D3BJ/def2-SVP) optimized structure (right). Thermal ellipsoids are shown with 50 % probability. Selected bond lengths are shown in [A].

#Chemical Structure#X-ray Solid-State Structure#DFT#Thermal Ellipsoids#Bond Lengths

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