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. 2022 Sep 21;10:949205. doi: 10.3389/fchem.2022.949205

TABLE 5.

Mulliken atomic charges.

Mulliken
7a 7b 7c 7d
C5 0.324458 0.327437 0.323153 0.320172
C8 −0.050852 −0.066118 −0.046142 −0.036001
C16 0.630508 0.665529 0.640289 0.639226
C19 −0.319524 −0.092239 −0.308651 −0.114158
C20 0.051492 0.133949 0.126907 0.121522
C21 0.388736 0.355951 0.321644 0.323730
C23 0.613744 0.596007 0.589181 0.592075