The electronic structures and energies of formation of supramolecular complexes of dipyridylethylene with AgNO3 were calculated by the semiempirical AM1/d method, at the Hartree-Fock level, and by the density functional theory (B3LYP/6-31G*).
- Ab initio quantum-chemical calculations
- Electronic structure
- Semiempirical quantum-chemical calculations
- Supramolecular complexes
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