Figure 9
A comparison of the energy frameworks composed of (a) electrostatic potential force, (b) dispersion force and (c) total energy for for the S1-molecule and and (d)–(f) comparable frameworks for the S3-molecule. The energy frameworks were adjusted to the same scale factor of 50 with a cut-off value of 5 kJ mol−1 within 2 × 2 × 2 unit cells. |