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. 2022 Aug 11;7(33):29391–29405. doi: 10.1021/acsomega.2c03651

Table 3. Fukui Functions for the Atoms of Glycine Using Mulliken Population Analysis.

  Mulliken atomic charges
Fukui functions
atoms q(N + 1) q(N) q(N – 1) fj+ fj fj0 Δf(r)
C1 –2.676 –0.238 –0.42 –2.438 0.182 –1.128 –2.62
H2 0.192 0.178 0.305 0.014 –0.127 –0.0565 0.141
C3 0.616 0.174 0.231 0.442 –0.057 0.1925 0.499
O4 –0.106 –0.321 –0.252 0.215 –0.069 0.073 0.284
O5 0.542 –0.217 –0.158 0.759 –0.059 0.35 0.818
H6 0.174 0.282 0.334 –0.108 –0.052 –0.08 –0.056
N7 –0.451 –0.601 –0.105 0.15 –0.496 –0.173 0.646
H8 0.222 0.278 0.395 –0.056 –0.117 –0.0865 0.061
H9 0.293 0.286 0.366 0.007 –0.08 –0.0365 0.087
H10 0.192 0.178 0.305 0.014 –0.127 –0.0565 0.141