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Gauging the importance of structural parameters for hyperfine coupling constants in organic radicals
The identification of fundamental relationships between atomic configuration and electronic structure typically requires experimental empiricism or systematic theoretical studies. Here, we provide an alternative statistical approach to gauge the importance of structure parameters, i.e., bond lengths...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10177955/ https://www.ncbi.nlm.nih.gov/pubmed/37188254 http://dx.doi.org/10.1039/d3ra02476h |