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Isobutene Protonation in H-FAU, H-MOR, H-ZSM-5, and H-ZSM-22
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Normal mode analysis in zeolites: toward an efficient calculation of adsorption entropies
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Adsorption of C2-C8 n-alkanes in zeolites
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Effect of nanopore dimension and network topology on alkene sorption thermodynamics
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Physisorption and chemisorption of linear alkenes in zeolites: a combined QM-Pot(MP2//B3LYP:GULP)–statistical thermodynamics study
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Physisorption and chemisorption of alkanes and alkenes in H-FAU: a combined ab initio – statistical thermodynamics study
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Alkylation of benzene with alkenes in acidic zeolites: an ab initio study
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Physisorption and chemisorption of alkenes: ab initio study of the influence of alkene structure and zeolite topology
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Physisorption and chemisorption of hydrocarbons in H-FAU using QM-Pot(MP2//B3LYP) calculations
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Physisorption of C2-C8 alkenes in H-FAU and H-ZSM-5
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Chemisorption of alkenes in H-FAU: description of the alkoxide bond using a combined QM/MM approach