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. 2020 Oct 17;1228:129454. doi: 10.1016/j.molstruc.2020.129454

Table 5.

The Mulliken atomic charges of L1H, L2H, and L3H.

L1H L2H L3H
1 C -0.11122 1 C -0.01515 1 C -0.2013
2 C 0.106601 2 C 0.003903 2 C 0.280357
3 C 0.134528 3 C 0.130135 3 C 0.068197
4 N -0.16705 4 N -0.26368 4 N -0.35022
5 C 0.511645 5 N -0.33433 5 N -0.3283
6 O -0.39734 6 C 0.205425 6 C 0.106955
7 C -0.09115 7 C -0.02753 7 C 0.039048
8 N -0.4852 8 C 0.005259 8 C 0.026534
9 C 0.051185 9 C 0.051085 9 C 0.060093
10 C -0.20289 10 C 0.067703 10 C -0.03639
11 C -0.09894 11 C -0.03372 11 C 0.026019
12 C -0.09495 12 C 0.028768 12 C -0.02273
13 C -0.1082 13 C -0.07759 13 C 0.096392
14 C -0.16576 14 C 0.106634 14 C 0.137059
15 C -0.12612 15 C 0.123458 15 C 0.177593
16 C -0.16461 16 C 0.192665 16 N -0.65011
17 C -0.08972 17 N -0.38104 17 C 0.285513
18 C -0.17746 18 C 0.119451 18 C -0.48668
19 C -0.00069 19 C 0.056393 19 S 0.552361
20 N -0.33001 20 C -0.01049 20 C 0.167863
21 C -0.03167 21 C 0.034302 21 C 0.035451
22 C -0.08019 22 C -0.05817 22 C -0.23807
23 N -0.56129 23 C 0.008089 23 C 0.13635
24 C 0.005574 24 Cl 0.118015
25 C 0.000038
26 C -0.01433
27 C 0.077149