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Discrete Existence of Singlet Nitrenium Ions Revisited: Computational Studies of Non-Aryl Nitrenium Ions and Their Rearrangements
[Image: see text] Nitrenium ion species are examined using computational methods (DFT, MP2, coupled-cluster, and a composite method, CBS-APNO) with a particular emphasis on nonaromatic species (i.e., those lacking an aromatic or heteroaromatic ring in direct conjugation with the formal nitrenium ion...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6645317/ https://www.ncbi.nlm.nih.gov/pubmed/31459169 http://dx.doi.org/10.1021/acsomega.8b01038 |