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. 2008 Jul 11;129(2):025102. doi: 10.1063/1.2945894

Table 6.

Percentage contributions of the approximated core parts of electron densities to the RMSD of atomic charges. Grid density=4.0 bohrs−1.

  1 2 3 4 5 6
2 1.52          
3 0.75 0.80        
4 0.42 1.46 0.86      
5 3.81 0.77 1.26 3.10    
6 0.74 1.50 0.66 0.79 1.07  
7 1.44 0.24 3.02 1.73 1.05 1.16