Plethora of non-covalent interactions in coordination and organometallic chemistry are modern smart tool for materials science, catalysis, and drugs design

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SUMMARY

    Copyright: Non-covalent interactions are one of the key topics in coordination and organometallic chemistry. The most promising theoretical methods in this context are the topological analysis of the electron_density distribution within the formalism of Bader`s theory (QTAIM) using additional auxiliary methods: visualization of van der Waals potential, Interaction Region Indicator (IRI) analysis, Independent Gradient Model (IGM) analysis, Density Overlap Regions Indicator (DORI) analysis, localized orbital locator (LOL) analysis, electron localization function (ELF) Int. Processing of large amounts of data (quantitative indicators of properties and energy characteristics of various supramolecular contacts in coordination . . .

     

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