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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 7.

Figure 7

Calculated ξ angular dependence of (A) gly CH2 stretching frequencies, (B) C-H bond lengths, and (C) normal mode composition (%) of CH2 symmetric stretch. Frequencies are scaled to 0.98.