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Heteroaromatic π-Stacking Energy Landscapes
[Image: see text] In this study we investigate π-stacking interactions of a variety of aromatic heterocycles with benzene using dispersion corrected density functional theory. We calculate extensive potential energy surfaces for parallel-displaced interaction geometries. We find that dispersion cont...
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| Main Authors: | , , , , , , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2014
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4037317/ https://ncbi.nlm.nih.gov/pubmed/24773380 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci500183u |
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