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. Author manuscript; available in PMC: 2008 Dec 5.
Published in final edited form as: J Am Chem Soc. 2006 Mar 22;128(11):3728–3736. doi: 10.1021/ja057216r

Figure 3.

Figure 3

Modifications to the original QM CMAP.66 The analytical expression of Eqn. 3 was used with kmax = 1.5 kcal/mol. The contour levels are -0.05, -0.2, -0.4, -0.8 and -1.2 (in kcal/mol).