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Table 4

The structural parameters of the functional groups [38, 39].

Functional group r q q
Na+ 1.0612 1.0404 1.0404
4.9130 2.8900 2.8900
H2O 0.9200 1.4000 1.0000
CH2 0.6744 0.5400 0.5400
CH3 0.9011 0.8480 0.8480

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