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. Author manuscript; available in PMC: 2008 Sep 2.
Published in final edited form as: J Am Chem Soc. 2005 Jul 6;127(26):9561–9570. doi: 10.1021/ja0512677

Fig. 5.

Fig. 5

Experimental and calculated CD spectra of compound 11. Solid line: experimental, c = 3.0 × 10−6 M in MeOH. Dotted line: Boltzman-weighted (at 298 K) average CD calculated with DeVoe's method and porphyrin hybrid approach (D = 77 D2 for 5−15 dipoles and 39 D2 for 10−20 dipoles, νmax = 24.1 kK, Lorentzian band with Δν1/2 = 0.75 kK width) on lowest energy MC/MMFF94s structures within 2 kcal/mol (see Table 1).