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Theoretical insight into the interaction between SnX(2) (X = H, F, Cl, Br, I) and benzene
For a series of five model complexes composed of a singlet SnX(2) molecule (X = H, F, Cl, Br, I) and a benzene molecule, the first-principles calculations of their energetics and the analysis of their electron density topology have been performed. The CCSD(T)/CBS interaction energy between SnX(2) an...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer Berlin Heidelberg
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4985535/ https://www.ncbi.nlm.nih.gov/pubmed/27525639 http://dx.doi.org/10.1007/s00894-016-3053-6 |