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Methane activation by metals and semiconductors. Molecular orbital theory. Final Report (Sep 86 - Dec 89)

By Anderson A B


The atom superposition and electron delocalization molecular orbital (ASED-MO) theory and catalyst cluster models as well as ASED-band calculations have been used to study methane CH activation over a diverse set of surfaces. These include metals, oxides, a sulfide, carbide and nitride, a metal with adsorbed O, and a polyometallate. CC coupling reactions over molybdenum disulfide and molybdenum carbide have been included.

Year: 1990
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