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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...
保存先:
| 出版年: | J Mol Model |
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| 第一著者: | |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Springer Berlin Heidelberg
2016
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| 主題: | |
| オンライン･アクセス: | 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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