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Table 1 Properties of model HS molecules

From: Molecular dynamics simulation of humic substances

Model molecule

Chemical formula

Molecular weight (g mol -1)

References

TNB

C 38H39O16N2

753

[67]–[70]

Schulten SOM

C 342H388O124N12

6,651

[61]

Schulten DOM

C 487H492O306N15S2

11,515

[65]

Sutton DOM

C 447H421O272N15S2

10,419

[62]

DOM polyanion

C 447 H 345 O 272 N 15 S 2 76 −

10,343

[79]

Brown humic acid

(C 38H39O16N2) 13

9,789

[86]