On the Many-Body Expansion of an Interaction Energy of Some Supramolecular Halogen-Containing Capsules

A tetramer model was investigated of a remarkably stable iodine-containing supramolecular capsule that was most recently characterized by other authors, who described emergent features of the capsule’s formation. In an attempt to address the surprising fact that no strong pair-wise interactions betw...

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Bibliographic Details
Main Authors: Jiří Czernek, Jiří Brus
Format: Article
Language:English
Published: MDPI AG 2021-07-01
Series:Molecules
Subjects:
DFT
Online Access:https://www.mdpi.com/1420-3049/26/15/4431