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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...
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| Publié dans: | Nat Commun |
|---|---|
| Auteurs principaux: | , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Nature Publishing Group UK
2020
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7058002/ https://ncbi.nlm.nih.gov/pubmed/32139681 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-020-15039-9 |
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