(2)
The bond-axiality Aσ quantifies the resultant BCPmotion along the bond-path, that coincides with thee3σ direction, that we refer to as the
bond-axial direction. The bond-axiality Aσ provides a
measure of symmetry breaking 35 in response to the
bond torsion directions (CCW vs. CW). The bond-axiality
Aσ is defined as:
Aσ =
[(e3σ∙dr)max ]CCW-
[(e3σ∙dr)max ]CW