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. 2018 Jun 20;4(7):832–839. doi: 10.1021/acscentsci.8b00157

Figure 3.

Figure 3

Differentiating the contributions from bonding topology (primary network) and nonbonded interactions (secondary network) in mechanical properties. Considerable contribution from the secondary network is observed in some of the materials with functional groups. (a, b) Bulk modulus with respect to shear modulus of the materials computed without and with nonbonded interactions, respectively. (c) Bulk modulus of the materials versus the bulk modulus of them without nonbonded interactions. Dashed line represents identical properties computed with and without nonbonded interactions, i.e., no contribution from the secondary network. In all parts, each marker (open, half-filled, and filled) represents a unique underlying network topology while the colors represent the ligand.