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Theoretical Study on the Complexes of Benzene with Isoelectronic Nitrogen-Containing Heterocycles

The π–π interactions between benzene and the aromatic nitrogen heterocycles pyridine, pyrimidine, 1,3,5-triazine, 1,2,3-triazine, 1,2,4,5-tetrazine, and 1,2,3,4,5-pentazine are systematically investigated. The T-shaped structures of all complexes studied exhibit a contraction of the C—H bond accompa...

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Detalhes bibliográficos
Main Authors: Wang, Weizhou, Hobza, Pavel
Formato: Artigo
Idioma:Inglês
Publicado em: WILEY-VCH Verlag 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2970914/
https://ncbi.nlm.nih.gov/pubmed/18389512
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cphc.200700587
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