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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 10.

Figure 10

Radial distribution functions (<f(r, T)>; a, c) and modified molecular scattering internsities (sM(s); b, d) as obtained at T = 298 K for resonant and nonresonant scattering terms within the backbone of arachidic acid (see Text) as obtained using GED software package developed at the University of Oslo (KCED25); see Ref. [18a] and Ref. [39] therein. RMS vibrational amplitudes were calculated from the Cartesian force field of the optimized structure of arachidic acid (symmetry group Cs) using a modified version of the program ASYM40.[20b]