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Multicenter (FX)(n)/NH(3) Halogen Bonds (X = Cl, Br and n = 1–5). QTAIM Descriptors of the Strength of the X∙∙∙N Interaction
In the present work an in depth deep electronic study of multicenter XBs (FX)(n)/NH(3) (X = Cl, Br and n = 1–5) is conducted. The ways in which X∙∙∙X lateral contacts affect the electrostatic or covalent nature of the X∙∙∙N interactions are explored at the CCSD(T)/aug-cc-pVTZ level and in the framew...
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| Publicado no: | Molecules |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6150306/ https://ncbi.nlm.nih.gov/pubmed/29165403 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules22112034 |
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