What is it about?
We have investigated the selective (C–H bond) activation of methane by different radical metal oxide clusters.
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Why is it important?
Methane is the major constituent of natural gas with unfavorable greenhouse effects. The conversion of methane to more value-added products, such as, ethylene and oxygenates has therefore gained enormous interest. However, it is the most difficult hydrocarbon molecule to convert.
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This page is a summary of: Methane adsorption and hydrogen atom abstraction at diatomic radical cation metal oxo clusters: first-principles calculations, Molecular Simulation, April 2018, Taylor & Francis, DOI: 10.1080/08927022.2018.1465568.
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