Fig. 2: Correlation analysis of binding energy and supramolecular interactions.
From: Bridging small molecule calculations and predictable polymer mechanical properties
A Binding modes of the dimers of ADH−ADH (HH), BDA−BDA (AA), BDT−BDT (TT), BDO−BDO (OO), ADH−BDA (HA), ADH–BDO (HO), BDA–BDO (AO), ADH−BDT (HT), BDA−BDT (AT), and BDO−BDT (OT). The gray, white, red, blue, and yellow balls represent carbon, hydrogen, oxygen, nitrogen, and sulfur atoms, respectively. B Binding energies of the dimers plotted against the proportion of H-bonded carbonyl groups in the SPUs. C Binding energies of the dimers plotted against the degree of physical crosslinking in the corresponding SPUs.
