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Formation mechanisms for new zeolite materials from a molecular modeling perspective
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Recent theoretical insights into the role of the zeolite framework on methanol-to-olefin conversion
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A complete catalytic cycle for supramolecular methanol-to-olefins conversion by linking theory with experiment
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MFI fingerprint: How pentasil-induced IR bands shift during zeolite nanogrowth
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Tackling the methanol-to-olefin problem through theoretical calculations : direct mechanisms vs. hydrocarbon pool model
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Refinement of the supramolecular concept in methanol-to-olefin catalysis
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The rise and fall of direct mechanisms in methanol-to-olefin catalysis: An overview of theoretical contributions
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Global DFT-based reactivity indicators: An assessment of theoretical procedures in zeolite catalysis
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Zeolite shape-selectivity in the gem-methylation of aromatic hydrocarbons
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Theoretical study on elementary reaction steps in the methanol-to-olefin process