Table 2. Active Site and Its ESP Value of Each Molecule.
| categories | BHT | ·CH3 | Ar–CH2–·CH2 | Ar–CH2–O | Ar–CH2–OO· | ·OH |
|---|---|---|---|---|---|---|
| atom | H22 | C1 | C1 | O1 | O9 | O1 |
| ESP | 28.567 | –9.295 | –7.754 | –27.177 | –29.221 | –26.444 |
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