. Author manuscript; available in PMC: 2009 Oct 6.

Published in final edited form as: J Phys Chem A. 2006 Jul 13;110(27):8366–8396. doi: 10.1021/jp056975t

Table 14.

Order parameters S²₀ and S²₂, and (S²₀)_axial² = 0.25 (S²₀)² + 0.75 (S²₂)², for c²₀ and c²₂ as given in the Table.

c²₀	c²₂	S²₀	S²₂	(S²_0(axial))²	c²_0(axial)	c²₂/c²₀
10	16	−0.305	1.034	0.825	11.3	1.6
10	18	−0.381	1.100	0.943	34.9	1.8
10	20	−0.412	1.130	0.971	> 50	2.0
10	22	−0.432	1.147	1.005	very high	2.2