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The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction
The electronic structure of benzene is a battleground for competing viewpoints of electronic structure, with valence bond theory localising electrons within superimposed resonance structures, and molecular orbital theory describing delocalised electrons. But, the interpretation of electronic structu...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7058002/ https://www.ncbi.nlm.nih.gov/pubmed/32139681 http://dx.doi.org/10.1038/s41467-020-15039-9 |