Skip to main content
. Author manuscript; available in PMC: 2013 Jan 10.
Published in final edited form as: J Chem Theory Comput. 2011 Dec 8;8(1):335–347. doi: 10.1021/ct200712b

Figure 8.

Figure 8

Sample structures of GU, AA, and UC intrastrand base pairs interacting via H-bonds. The green solid lines depict the main stabilizing interactions. The weak C-H…O/N contacts revealed by AIM analysis are indicated by red dashed lines. Note that the C9Met(A)…N7(A) interaction of the AA base pair is artificial (see the text). The hydrogen atoms and identified critical points have been omitted for the sake of simplicity. H-bonds are depicted in a standard way, i.e. using a (dotted) line linking the respective heavy atoms (C/O/N) without regards to the precise location of the particular CP. Note that the given CP does not need to match the geometrical line connecting the heavy atoms. More precisely it does not even need to lie on the line connecting H and acceptor atom nuclei. For complete molecular graphs of GU/AA/UC base pairs with all critical points, see Supporting Information.