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Discovering the stacking landscape of a pyridine-pyridine system
Extremely extensive calculations of potential energy surfaces for the parallel-displaced configuration of pyridine dimer systems have been carried out using a dispersion-corrected density functional. Instead of focusing on stationary geometries these calculations provide much deeper insight into the...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer Berlin Heidelberg
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5680376/ https://www.ncbi.nlm.nih.gov/pubmed/29124340 http://dx.doi.org/10.1007/s00894-017-3496-4 |