Theoretical Aspects of Heterogeneous Catalysis Book

Preface. Theoretical Study of Reactions Catalyzed by Acidic Zeolite; X. Rozanska, et al. Quantum Chemical Modeling the Location of Extraframework Metal Cations in Zeolites; G.N. Vayssilov. Chemical Reactions of Alkanes Catalyzed by Zeolites; E.A. Furtado, M.A.C. Nascimento. Ab Initio Simulations of Zeolites Reactivity; J.G. Ángyán, et al. Modelling of Oxide-Supported Metals; M. Alfredsson, et al. Elementary Steps of Catalytic Processes on Metallic and Bimetallic Surfaces; F. Illas, et al. Role of Point Deffects in the Catalytic Activation of Pd Atoms Supported on the MgO Surface; G. Pacchioni, et al. The Valency Effect on Reaction Pathways in Heterogeneous Catalysis: Insight from Density Functional Theory Calculations; A. Michaelaides, P. Hu. The Adsorption of Acetylene and Ethylene on Transition Metal Surfaces; C.G.P.M. Bernardo, J.A.N.F. Gomes. Theoretical Approaches of the Reactivity at MgO (100) and TiO2(110) Surfaces; C. Minot. Subject Index.