Browsing Zweitveröffentlichungen by Subject "QMMM"
Now showing items 1-1 of 1
2004-03-25ZeitschriftenartikelCatalytic dehydrogenation of ethane over mononuclear Cr(III) surface sites on silica. part I. C - H activation by σ-bond metathesis Mononuclear Cr(III)-silica models have been studied by quantum chemical methods with respect to catalytic activity toward dehydrogenation of ethane. Both cluster and slab models have been developed and used to explore the ...