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. 2007 Sep 15;13(12):1245–1257. doi: 10.1007/s00894-007-0239-y

Fig. 2.

Fig. 2

Stacking interaction (in kcal mol−1) as function of the twist angle (in degree) for π-π stacks of two bases, C-C and G-U, computed with various density functionals. The red, blue and green lines show the results obtained with BHandH, KT1 and KT2, respectively. The bold line with crosses represents the MP2/6-31G*(0.25) reference data