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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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| Publicado no: | J Mol Model |
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| Autor principal: | |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer Berlin Heidelberg
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4985535/ https://ncbi.nlm.nih.gov/pubmed/27525639 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-016-3053-6 |
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