Abstract:
Some uncertainties of the ellipticity of electron density are discussed in terms of double-bonding and valence-shell electron pair repulsion.
Citation:
I. V. Ananyev, K. A. Lyssenko, “A chemist's point of view: the noncylindrical symmetry of electron density means nothing but still means something”, Mendeleev Commun., 26:4 (2016), 338–340
Linking options:
https://www.mathnet.ru/eng/mendc2206
https://www.mathnet.ru/eng/mendc/v26/i4/p338
This publication is cited in the following 10 articles:
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, “Interatomic exchange‐correlation interaction energy from a measure of quantum theory of atoms in molecules topological bonding: A diatomic case”, J Comput Chem, 41:25 (2020), 2213
Ivan V. Ananyev, Nadezhda A. Bokach, Vadim Yu. Kukushkin, “Structure-directing sulfur...metal noncovalent semicoordination bonding”, Acta Crystallogr B Struct Sci Cryst Eng Mater, 76:3 (2020), 436
Alexander A. Larin, Nikita V. Muravyev, Alla N. Pivkina, Kyrill Yu. Suponitsky, Ivan V. Ananyev, Dmitry V. Khakimov, Leonid L. Fershtat, Nina N. Makhova, “Assembly of Tetrazolylfuroxan Organic Salts: Multipurpose Green Energetic Materials with High Enthalpies of Formation and Excellent Detonation Performance”, Chemistry A European J, 25:16 (2019), 4225
A. O. Dmitrienko, I. V. Ananyev, “Clustering of nonvalently bonded NO2…O2N fragments at C(sp3) atoms”, Russ Chem Bull, 68:1 (2019), 1
Anna A. Kovalenko, Yulia V. Nelyubina, Alexander A. Korlyukov, Konstantin A. Lyssenko, Ivan V. Ananyev, “The truth is out there: the metal-π interactions in crystal of Cr(CO)3(pcp) as revealed by the study of vibrational smearing of electron density”, Zeitschrift für Kristallographie - Crystalline Materials, 233:5 (2018), 317
Anna Romanova, Konstantin Lyssenko, Ivan Ananyev, “Estimations of energy of noncovalent bonding from integrals over interatomic zero‐flux surfaces: Correlation trends and beyond”, J Comput Chem, 39:21 (2018), 1607
Ivan V. Ananyev, Valentina A. Karnoukhova, Artem O. Dmitrienko, Konstantin A. Lyssenko, “Toward a Rigorous Definition of a Strength of Any Interaction Between Bader's Atomic Basins”, J. Phys. Chem. A, 121:23 (2017), 4517
Yu. V. Nelyubina, I. V. Ananyev, V. V. Novikov, K. A. Lyssenko, “Invariom approach to electron density studies of open-shell compounds: the case of an organic nitroxide radical”, RSC Adv., 6:94 (2016), 91694