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. Author manuscript; available in PMC: 2011 Jun 24.
Published in final edited form as: J Phys Chem B. 2010 Jun 24;114(24):8270–8277. doi: 10.1021/jp101980a

Figure 1.

Figure 1

Ai and Aj have been selected to show the description of atom-atom charges based on the atom-atom vectors Rij and Rij, whose atom-atom charges are described as ρAi,Aj12(rRij)andρAi,Aj12(rRij) respectively.