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[small pi]-Hole aerogen bonding interactions

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Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP03272E, Paper
Antonio Bauza, Antonio Frontera
High level ab initio calculations combined with the analysis of available X-ray structures demonstrate the importance of [small pi]-hole aerogen bonding interactions in Xe(IV) compounds. The ability of square planar XeF4 and Xe(OMe)4 compounds to interact with electron rich molecules is rationalized using several computational tools.
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