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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...
Autores principales: | Wang, Weizhou, Hobza, Pavel |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
WILEY-VCH Verlag
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970914/ https://www.ncbi.nlm.nih.gov/pubmed/18389512 http://dx.doi.org/10.1002/cphc.200700587 |
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