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Project
Rational design of microporous catalysts using molecular modelling
Study for the MTO process, of the specific role of the surrounding lattice on the reactivity, and of manipulations through variations in topology, changes in the composition or local modifications on the lattice through building in certain functionalities.
Date:1 Oct 2008 → 30 Sep 2012
Keywords:molecular modelling, MTO process, reactivity
Disciplines:Other chemical sciences, Materials science and engineering, Semiconductor materials, Other materials engineering, Ceramic and glass materials, Theoretical and computational chemistry