Аннотация:
It is shown that the electronic virial-based correlation should be used to estimate bonding contributions to the rigidity of molecular vibrations in crystals.
Образец цитирования:
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., 33:3 (2023), 353–356
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/mendc395
https://www.mathnet.ru/rus/mendc/v33/i3/p353
Эта публикация цитируется в следующих 8 статьяx:
Alexander A. Larin, Ekaterina V. Dubasova, Ivan V. Ananyev, Konstantin A. Monogarov, Galina A. Gazieva, Leonid L. Fershtat, “New energetic 1,2,4‐triazole‐nitrofuroxan hybrids”, Journal of Heterocyclic Chem, 61:5 (2024), 713
Ilya D. Deltsov, Ivan V. Ananyev, Dmitry B. Meerov, Leonid L. Fershtat, “Expanding the Limits of Organic Energetic Materials: High-Performance Alliance of 1,3,4-Thiadiazole and Furazan Scaffolds”, J. Org. Chem., 89:1 (2024), 174
I. V. Ananyev, L. L. Fershtat, “Electron population of Bader's interatomic surfaces: relevance of estimates based on the electron density function values at critical points”, Russ Chem Bull, 73:1 (2024), 110
I. V. Ananyev, L. L. Fershtat, “Probing transferability of intermolecular interactions by their features: a nitro group case study”, Mendeleev Commun., 34:4 (2024), 540–542
S. V. Osintseva, O. V. Semeikin, I. V. Anan'ev, F. M. Dolgushin, “Fulvene Complex Stabilized by Triangular Ruthenium Cluster”, Russ J Coord Chem, 50:11 (2024), 927
Aleksei A. Anisimov, Ivan V. Ananyev, “Electron density-based protocol to recover the interacting quantum atoms components of intermolecular binding energy”, The Journal of Chemical Physics, 159:12 (2023)
Sergey V. Timofeev, Kirill E. Erdelyi, Kyrill Yu. Suponitsky, Khusejin R. Agadzhanov, Ivan V. Ananyev, Igor B. Sivaev, Vladimir I. Bregadze, “B-carboranyl methyl thioether ligands in coordination with the W(CO)5 fragment”, Journal of Organometallic Chemistry, 1002 (2023), 122906
I. V. Ananyev, L. L. Fershtat, “Why pay more? QTAIM descriptors of non-covalent interactions in S22 from promolecular electron density”, Mendeleev Commun., 33:6 (2023), 806–808
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