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Writing with ring currents: selectively hydrogenated polycyclic aromatics as finite models of graphene and graphane
Alternating partial hydrogenation of the interior region of a polycyclic aromatic hydrocarbon gives a finite model system representing systems on the pathway from graphene to the graphane modification of the graphene sheet. Calculations at the DFT and coupled Hartree–Fock levels confirm that sp(2) c...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society Publishing
2014
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3899853/ https://ncbi.nlm.nih.gov/pubmed/24611026 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rspa.2013.0617 |
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