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On the JAP Method for the Indirect Determination of Delocalized Currents from Experimental Chemical Shifts
The JAP model (after Jirásek, Anderson, and Peeks) to retrieve global current strengths from experimental (1)H chemical shifts has been tested with DFT computations. Both global and local tropicities are correctly predicted in most cases and the quantitative agreement is overall fair. An extension o...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9796333/ https://www.ncbi.nlm.nih.gov/pubmed/35811448 http://dx.doi.org/10.1002/cphc.202200411 |