Figure 2

(a) Structure and Numbering of carbon-atoms of CCM and (b) Electron potential Plot and the most energy-favorable selenite trapping site of CCM/SeO32− adduct, denoted as CS-10 in the supporting materials. The value of Ebinding obtained for this structure (84 kcal/mol) is distinguished larger than those of the other 12 structures (between 71 and 36 kcal/mol). The unfavorable binding at sites b and c arises from the negative electron potential governed by oxygen-atom(s).