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. 2015 Apr 2;11(5):2167–2186. doi: 10.1021/ct501138c

Figure 4.

Figure 4

Model molecules used for deriving ϕ/ψ torsional parameters for O-linkage: (1) equatorial–equatorial (eq–eq), (2) axial–equatorial (ax–eq), (3) axial–axial (ax–ax), and (4) equatorial–axial (eq–ax) linkages.