V. A. Karnoukhova, I. V. Fedyanin, E. V. Dubasova, A. A. Anisimov, I. V. Ananyev, “Concerning virial-based estimations of strength of bonding intermolecular interactions in molecular crystals and supramolecular complexes”, Mendeleev Commun., 2023, Volume 33, Issue 3,Pages <nobr>353

This article is cited in 12 papers

Communications

Concerning virial-based estimations of strength of bonding intermolecular interactions in molecular crystals and supramolecular complexes

V. A. Karnoukhova^a, I. V. Fedyanin^a, E. V. Dubasova^a, A. A. Anisimov^ab, I. V. Ananyev^ab

^a A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Moscow, Russian Federation
^b N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation

Abstract: It is shown that the electronic virial-based correlation should be used to estimate bonding contributions to the rigidity of molecular vibrations in crystals.

Keywords: topological atom, bonding interaction, molecular crystals, topological analysis, molecular vibrations.

Language: English

DOI: 10.1016/j.mencom.2023.04.018

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