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Origin of Substituent Effects in Edge-to-Face Aryl-Aryl Interactions
Substituent effects in the edge-to-face configuration of the benzene dimer have been studied using modern density functional theory. An accurate interaction potential energy curve has been computed for the unsubstituted dimer using ab initio methods with large basis sets. The recommended binding ene...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2742475/ https://ncbi.nlm.nih.gov/pubmed/20046948 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/00268970802537614 |
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