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Theoretical Insight into Non-Covalent Complexes of <i>Closo</i>-Borate Anions [B<sub>n</sub>H<sub>n−1</sub>X]<sup>y−</sup> with Glycine

Non-covalent contacts play a significant role in binding between fragments in supramolecular assemblies. Understanding the non-covalent binding capabilities of <i>closo</i>-borate anions and their derivatives is a significant research challenge, due to their ability to interact with biomolecules. Th...

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Main Authors: Ilya N. Klyukin, Anastasia V. Kolbunova, Alexander S. Novikov, Alexandra A. Klyukina, Konstantin Y. Zhizhin, Nikolay T. Kuznetsov
Format: Artigo
Language:Inglês
Published: MDPI AG 2025-12-01
Series:Computation
Subjects:
non-covalent interactions
molecular complexes
<i>closo</i>-borate derivatives
amino acids
QTAIM
ETS-NOCV
Online Access:https://www.mdpi.com/2079-3197/13/12/285
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