Three-dimensional networks of hydrogen bonds in periodic arrays of molecular modules containing amide-(ethylene glycol) and amide-(ethylene glycol)-amide: Ab initio picture

- Optimized geometries of periodic OEG and amide-containing modules are found.
- DFT/BP86/6-31G method is used for calculations.
- In a 2-layered network of HB the HBA chains can be either parallel or crossed at 60°.