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. 2020 Sep 10;10(55):33401–33416. doi: 10.1039/d0ra07011d

Calculated Fukui functions f+k, fk and Δf for SBC.

Atoms SBC
f + f Δf
C1 0.002 0.012 −0.010
O2 0.004 0.018 −0.014
C3 0.007 0.007 0.000
C4 0.011 0.009 0.002
C5 0.007 0.020 −0.013
C6 0.003 0.023 −0.010
O7 0.016 0.018 −0.002
O8 0.016 0.112 −0.096
C9 0.004 0.010 −0.006
O10 0.028 0.094 −0.066
N11 0.106 0.026 0.080
O12 0.012 0.025 −0.013
C13 0.111 0.026 0.085
C14 0.037 0.040 −0.003
C15 0.049 0.030 0.019
C16 0.047 0.044 0.003
C17 0.063 0.025 0.019
C18 0.042 0.034 0.008
C19 0.073 0.045 0.028
O20 0.063 0.068 −0.005