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TURBOMOLE GmbH spin density plot
Spin Density Plot, supplied by TURBOMOLE GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/spin+density+plot/spin+density+plot/10__1002_slash_ejic__201800168-176-22-27
Average 90 stars, based on 1 article reviews
spin density plot - by Bioz Stars, 2026-11
90/100 stars

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Article Title: Nickel-Alkyl Complexes with a Reactive PNC-Pincer Ligand
Article Snippet: The simulated spectrum was obtained with the parameters shown in Table 3. (middle) SOMO of complex [3CH3]•‒ (Turbomole, BP86, def2-TZVP). (right) Spin density plot of complex [3CH3]•‒ (Turbomole, BP86, def2TZVP). giso 2.007 2.003 2.003 APiso ‒10.5 ‒13.1 ‒14.0 ANiso 5.0 5.9 6.6 AH1iso ‒7.0 ‒9.6 ‒10.4 AH2iso ‒8.5 ‒14.3 ‒15.9 AH3iso NR 3.0 3.5 AH4iso ‒6.5 ‒6.9 ‒7.8 AH5iso NR 2.4 3.0 10.1002/ejic.201800168 te d M an us cr ip t European Journal of Inorganic Chemistry This article is protected by copyright.

Article Title: Ligand-centred reactivity of bis(picolyl)amine iridium: sequential deprotonation, oxidation and oxygenation of a "non-innocent" ligand.
Article Snippet: Over the past years we have become increasingly interested in the unusual chemistry of open-shell organometallic complexes of Rh and Ir.. Such species reveal a rich chemistry, with several coupling and atom-abstraction reactions occurring at both the metal and ligand sites.. While some of these species should be regarded as “metallo-radicals”, others are better described as “ligand radicals” (Scheme 1).



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