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The nature of inter- and intramolecular interactions in F(2)OXe(…)HX (X= F, Cl, Br, I) complexes
Electronic structure of the XeOF(2) molecule and its two complexes with HX (X= F, Cl, Br, I) molecules have been studied in the gas phase using quantum chemical topology methods: topological analysis of electron localization function (ELF), electron density, ρ(r), reduced gradient of electron densit...
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| Publicado no: | J Mol Model |
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| Main Authors: | , , , |
| 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/PMC4856722/ https://ncbi.nlm.nih.gov/pubmed/27146283 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-016-2970-8 |
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