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. Author manuscript; available in PMC: 2009 Sep 22.
Published in final edited form as: J Am Chem Soc. 2008 Apr 16;130(20):6597–6603. doi: 10.1021/ja0779607

Figure 2.

Figure 2

Computed frequencies (B3LYP/cc-pVTZ) for the symmetric CD3 stretch in CH3SCD3 as a function of external field, E. The z direction is along the S-C bond, y is perpendicular to the CSC plane, and×is perpendicular to y and z. The dashed line is a linear regression on the points for E ‖z.