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Vicinal dihalonium ions: diprotonated and dimethylated chlorine [[Formula: see text] , [Formula: see text]] and bromine [[Formula: see text] , [Formula: see text]] dications
High level ab initio calculations at the MP2/cc-pVTZ, CCSD(T)/cc-pVTZ, and CASSCF(6,6)/cc-pVTZ levels were performed to investigate geometries and energies of superelectrophilic diprotonated, and dimethylated molecular chlorine ([Formula: see text]) and bromine ([Formula: see text]) dications. Dipro...
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| Hlavní autoři: | , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
National Academy of Sciences
2010
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3197280/ https://ncbi.nlm.nih.gov/pubmed/20351253 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1001603107 |
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