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Which NICS method is most consistent with ring current analysis? Assessment in simple monocycles
The aromaticity of benzene, Al(4)(2−) cluster, cyclopropane, borazine and planar cyclooctatetraene (COT) was analyzed according to different strategies based on nucleus-independent chemical shift (NICS) computations. The analysis of NICS-components evolution along the main molecular axis seems to be...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9079725/ https://www.ncbi.nlm.nih.gov/pubmed/35542548 http://dx.doi.org/10.1039/c8ra01263f |