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Nascimento M.A.Ch. (ed.) Theoretical aspects of heterogeneous catalysis
Kluwer. 2002. 268 p.

Theoretical Study of Reactions Catalyzed by Acidic Zeolite
Quantum Chemical Modeling the Location of Extraframework Metal Cations in Zeolites
Chemical Reactions of Alkanes Catalyzed by Zeolites
Ab Initio Simulations of Zeolites Reactivity
Modelling of Oxide-Supported Metals
Elementary Steps of Catalytic Processes on Metallic and Bimetallic Surfaces
Role of Point Deffects in the Catalytic Activation of Pd Atoms Supported on the MgO Surface
The Valency Effect on Reaction Pathways in Heterogeneous Catalysis : Insight from Density Functional Theory Calculations
The Adsorption of Acetylene and Ethylene on Transition Metal Surfaces
Theoretical Approaches of the Reactivity at MgO (100) and
TiO2 (110) Surfaces
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