[HTML][HTML] Alkali Metal-Ion Binding by a Model Macrocycle Containing a CI··· N Halogen Bonded Network: A DFT Study of CI··· M+ and N··· M+ Binding Interactions, M+ …
RD Parra - Inorganics, 2024 - mdpi.com
The complexation of an alkali metal ion by a model macrocycle is examined using the M05-
2X/DGDZVP DFT method. The macrocycle is built by connecting three cyclopenta [b] pyrrole …
2X/DGDZVP DFT method. The macrocycle is built by connecting three cyclopenta [b] pyrrole …