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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 4.

Figure 4

Radial distribution functions (<f(r, T)>; a, c, e) and thermal probability density distribution functions (P(ϕ1, ϕ2, T); b, d, f) as obtained for fully-correlated 2D pseudoconformer models of n-butane at T = 300, 600, 900 K, respectively; <f(r, T)> characteristic of the two-conformer models of Bartell[29] and calculated potential energy surfaces E(ϕ1, ϕ2), cf. Figure 2, are plotted for comparison (see Legend).