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SOMO–HOMO Level Inversion in Biologically Important Radicals

[Image: see text] Conventionally, the singly occupied molecular orbital (SOMO) of a radical species is considered to be the highest occupied molecular orbital (HOMO), but this is not the case always. In this study, we considered a number of radicals from smallest diatomic anion radicals such as supe...

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Veröffentlicht in:J Phys Chem B
Hauptverfasser: Kumar, Anil, Sevilla, Michael D.
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2017
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5767877/
https://ncbi.nlm.nih.gov/pubmed/29240424
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.7b10002
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