Figure 7
The energy frameworks for I viewed down the c-axis direction comprising, (a) electrostatic potential forces (Eele), (b) dispersion forces (Edis) and (c) total (Etot) energy for a cluster about a reference molecule of I. The energy frameworks were adjusted to the same scale factor of 80 with a cut-off value of 5 kJ mol−1 within a 5 Å radius of a selected central molecule. |