Molecular Modeling of Acidic Treated PSTM-3T Polymer for Removal of Heavy Metal Ions by Experimental and Computational Studies
Table 4
The comparison of experimental (in Figure 5) and theoretical (in Figure 3(c)) frequencies of PSTM-3T after treatment by hydrochloric acid (pH = 2) solution. The percentage of relative deviation of model in different frequencies is shown in parenthesis.
