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Substituent Effects in C(6)F(6)-C(6)H(5)X Stacking Interactions
Parallel displaced and sandwich configurations of hexafluorobenzene-substituted benzene dimers are studied by ab initio molecular orbital methods up to the MP2(full)/aug-cc-pVDZ level of theory to reveal how substituents influence π-π interactions. Two minimum energy configurations are found, one wi...
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| Autores principales: | , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2006
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2527057/ https://ncbi.nlm.nih.gov/pubmed/17137351 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jo061235h |
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