Saowalak Phikulthai

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The oxidation mechanism of CO to CO<sub>2</sub> catalyzed by Fe-porphyrin using N<sub>2</sub>O as oxidizing agent has been studied by M06-L method. The reaction mechanism consists of two consecutive steps: the decomposition of N<sub>2</sub>O to produce Fe-O species and subsequently the conversion of CO to CO<sub>2</sub>. The adsorption energies are -3.8(More)
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