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. Author manuscript; available in PMC: 2010 Apr 23.
Published in final edited form as: J Phys Chem A. 2009 Apr 23;113(16):4075–4093. doi: 10.1021/jp8104425

Figure 11.

Figure 11

Radial distribution functions (<f(r, T)>; a, c, e) and thermal probability density distribution functions (P(ϕ, T); b) as obtained for uncorrelated quasi-harmonic pseudoconformer models of arachidic acid at T = 300, 600, and 900 K using different steric tolerances (see Text); <f(r, T)> characteristic of the optimized structure of arachidic acid (symmetry group Cs) are plotted for comparison. Pertinent diffraction differences are shown as well (see Legend).