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. 2017 Feb 20;7:42823. doi: 10.1038/srep42823

Figure 5. The PH and PO pathways, transition structures, and energy diagram of ROS-involving phosphorothioate oxidation at the M06 and B3LYP level of theory with the basis set of 6-311 + G(d, p).

Figure 5

(Distances in angstrom, and energetics in kcal/mol).