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Ring-Current Maps for Benzenoids: Comparisons, Contradictions, and a Versatile Combinatorial Model
[Image: see text] As a key diagnostic property of benzenoids and other polycyclic hydrocarbons, induced ring current has inspired diverse approaches for calculation, modeling, and interpretation. Grid-based methods include the ipsocentric ab initio calculation of current maps, and its surrogate, the...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7304905/ https://www.ncbi.nlm.nih.gov/pubmed/32375480 http://dx.doi.org/10.1021/acs.jpca.0c02748 |