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. Author manuscript; available in PMC: 2010 Oct 11.
Published in final edited form as: J Phys Chem B. 2008 May 8;112(18):5803–5812. doi: 10.1021/jp710136c

Figure 3.

Figure 3

Dihedral angle ξ measures planarity of gly molecule. If ξ ~ 0°, the molecule is planar and the C-H bonds are symmetric with respect to the carboxyl group plane, as in case of Gly•HCl. In Gly•HNO3 the carboxyl is rotated ~ 21° with respect to the N1-C3 bond making the C-H bonds nonequivalent.