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The double-bond isomerization of 1-hexene to trans-2-hexene on the surface of ZSM-5 zeolite has been investigated by using density functional theory with a 3T cluster model simulating the Brønsted active site of the zeolite. Upon a basis of the calculated results, we found that the double-bond isomerization proceeds via the formation of alkoxy intermediates, in which case, 1-hexene is first adsorbed...
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