Figure 1.

The CI for biphenyl as a function of the inter-ring torsion angle. (a) A chemical formula for the biphenyl molecule with inter-ring torsion angle θ indicated. (b) The CI of the biphenyl molecule as a function of θ (red curve). Unlike G₀ (green curve), the values of CI, obtained with equations (A 4) and (A 5), exhibit a perfectly sinusoidal dependence on the inter-ring torsion angle. (c) The effect of noise on the values of CI. The blue and purple curves show the CI when a normally distributed error of 0.4 Å and 1.0 Å, respectively, is applied to the coordinates of biphenyl after each rotation. For reference, the red curve is the undisturbed CI from (b).