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Halogen–Halogen Nonbonded Interactions
[Image: see text] Halogen–halogen nonbonded interactions were studied for methyl halides and phenyl halides using both B3LYP and MP2 along with 6-311+G* and aug-cc-pVTZ. With the methyl halides, the linear approach was found to lead to little stabilization, whereas the “90°” approach gave 1–2 kcal/m...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8210438/ https://www.ncbi.nlm.nih.gov/pubmed/34151099 http://dx.doi.org/10.1021/acsomega.1c01356 |