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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...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4037317/ https://www.ncbi.nlm.nih.gov/pubmed/24773380 http://dx.doi.org/10.1021/ci500183u |