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. Author manuscript; available in PMC: 2008 Oct 21.
Published in final edited form as: J Phys Chem C Nanomater Interfaces. 2008;112(37):14297–14305. doi: 10.1021/jp803917t

Figure 1.

Figure 1

The selected top-view configurations for self-stacking dimers of four different nucleobases (A, G, C and T), predicted with MPWB1K/cc-pVDZ. Side-view only for the most stable configurations. The numbers in parentheses are binding energies in gas phase. A red ball stands for oxygen atom, blue for nitrogen, gray for carbon and white for hydrogen atoms.