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- aggregation classification "A1".
- aggregation creator person.
- aggregation creator person.
- aggregation creator person.
- aggregation creator person.
- aggregation creator person.
- aggregation creator person.
- aggregation date "2009".
- aggregation format "application/pdf".
- aggregation hasFormat 771613.bibtex.
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- aggregation isPartOf urn:issn:1867-3880.
- aggregation language "eng".
- aggregation rights "I have transferred the copyright for this publication to the publisher".
- aggregation subject "Physics and Astronomy".
- aggregation title "The effect of confined space on the growth of naphthalenic species in a chabazite-type catalyst: a molecular modeling study".
- aggregation abstract "Methylation reactions of naphthalenic species over the acidic microporous zeolite with chabazite topology have been investigated by means of two-layered ab initio computations. Large cluster results combined with van der Waals contributions provide thermodynamic and kinetic results of successive methylation steps. The growth of fused bicyclic species is important as these can act as hydrocarbon pool species within the methanol-to-olefin (MTO) process, but ultimately leads to the deactivation of the catalyst. The influence of the confined space of the zeolite pore on the resulting transition state or product shape selectivity is investigated in detail.".
- aggregation authorList BK570941.
- aggregation endPage "378".
- aggregation issue "3".
- aggregation startPage "373".
- aggregation volume "1".
- aggregation aggregates 856653.
- aggregation isDescribedBy 771613.
- aggregation similarTo cctc.200900208.
- aggregation similarTo LU-771613.