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The nature of the chemical bond in oxyanionic crystals based on QTAIM topological analysis of electron densities
The nature of the chemical bond in 31 oxyanionic crystals was analyzed using ab initio calculations and quantum theory of atoms in molecules (QTAIM). The QTAIM topological analysis of the calculated electron densities in oxyanionic crystals revealed that some of the metal–oxygen, metal⋯metal, metal–...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9063545/ https://www.ncbi.nlm.nih.gov/pubmed/35516991 http://dx.doi.org/10.1039/c9ra01403a |