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

被引：7
|
作者：
Karnoukhova, Valentina A. [1 ]
Fedyanin, Ivan V. [1 ]
Dubasova, Ekaterina V. [1 ]
Anisimov, Aleksei A. [1 ,2 ]
Ananyev, Ivan V. [1 ]
机构：
[1] Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Moscow 119334, Russia
[2] Russian Acad Sci, NS Kurnakov Inst Gen & Inorgan Chem, Moscow 119991, Russia
来源：
MENDELEEV COMMUNICATIONS | 2023年 / 33卷 / 03期
基金：
俄罗斯科学基金会;
关键词：
topological atom; bonding interaction; molecular crystals; topological analysis; molecular vibrations; ELECTRON-DENSITY DISTRIBUTION; TOPOLOGICAL ANALYSIS; NONCOVALENT INTERACTIONS; CRITICAL-POINTS; ENERGY; QTAIM; EXCHANGE; DESIGN; PATHS; FORCE;
D O I：
10.1016/j.mencom.2023.04.018
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
It is shown that the electronic virial-based correlation should be used to estimate bonding contributions to the rigidity of molecular vibrations in crystals.
引用
收藏
页码：353 / 356
页数：4
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