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Putative reaction mechanism of semi-deprotonated 3-Thp-BOH oxidation and electropolymerization with energy differencesΔE(computed at 0 K) and free energy differencesΔG(computed at 298 K). For each step of the mechanism, the calculated free energies are shown. All calculated energy values are given in electron volts (eV).
#Workflow#Flowchart#Illustration#Chemical Structure#Reaction Mechanism#Oxidation#Electropolymerization#Energy Differences#Free Energy Differences
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