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. Author manuscript; available in PMC: 2014 Nov 13.
Published in final edited form as: J Phys Chem B. 2011 Apr 15;115(18):5354–5364. doi: 10.1021/jp109410j

Figure 5.

Figure 5

Atomic population of the donor and acceptor tunneling orbitals of the BS ground state of N6→N6b. The atomic populations are indicated by blue-to-red color gradation in base-10 log scale. Hydrogen atoms are not shown to avoid complexity.