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Strength of the [Z–I···Hal](−) and [Z–Hal···I](−) Halogen Bonds: Electron Density Properties and Halogen Bond Length as Estimators of Interaction Energy
Bond energy is the main characteristic of chemical bonds in general and of non-covalent interactions in particular. Simple methods of express estimates of the interaction energy, E(int), using relationships between E(int) and a property which is easily accessible from experiment is of great importan...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8038634/ https://www.ncbi.nlm.nih.gov/pubmed/33916483 http://dx.doi.org/10.3390/molecules26072083 |