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Relationships between Interaction Energy and Electron Density Properties for Homo Halogen Bonds of the [(A)(n)Y–X···X–Z(B)(m)] Type (X = Cl, Br, I)
Relationships between interaction energy (E(int)) and electron density properties at the X···X bond critical point or the d(X···X) distance were established for the large set of structures [(A)(n)Y–X···X–Z(B)(m)] bearing the halogen bonds Cl···Cl, Br···Br, and I···I (640 structures in total). The be...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6695802/ https://www.ncbi.nlm.nih.gov/pubmed/31357615 http://dx.doi.org/10.3390/molecules24152733 |