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How to link theory and experiment for single-chain magnets beyond the Ising model: magnetic properties modeled from ab initio calculations of molecular fragments
Magnetic properties of coordination polymers like single-chain magnets (SCMs) are based on magnetic domains, which are formed due to magnetic exchange between neighboring anisotropic spin centers. However, the computational restrictions imposed by the high level of theory needed for an adequate ab i...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Royal Society of Chemistry
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6979495/ https://www.ncbi.nlm.nih.gov/pubmed/32055306 http://dx.doi.org/10.1039/c9sc02735a |