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DFT calculation at B3LYP-D3/aug-cc-pVDZ computational level was applied to analyze intermolecular interactions in R2Se⋯C6H6⋯M+ (M+=Li+, Na+ and R=H, CH3) triads and their two considered conformers, which are connected via Se⋯π and cation⋯π interactions. The corresponding dyads were also studied to get better insight into the features of these systems. Molecular geometries and binding energies of dyads...
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