Theoretical Aspects of Heterogeneous Catalysis: Progress in Theoretical Chemistry and Physics, cartea 8
Editat de M.A. Nascimentoen Limba Engleză Paperback – 5 dec 2010
- the use of techniques of computational chemistry to simulate zeolites, metallic and bimetallic surfaces, and oxide-supported metals;
- the impact of simulation methods on the understanding of the diffusion and adsorption of molecules and cations within the pores of zeolites, and also on the adsorption of molecules on metal and metal-oxide surfaces; and
- the applications of quantum-mechanical methods to the study of the reaction mechanism and pathways of the adsorbed molecules.
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Paperback (1) | 626.33 lei 43-57 zile | |
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Specificații
ISBN-13: 9789048158737
ISBN-10: 9048158737
Pagini: 268
Ilustrații: X, 258 p.
Dimensiuni: 155 x 235 x 14 mm
Greutate: 0.39 kg
Ediția:2001
Editura: SPRINGER NETHERLANDS
Colecția Springer
Seria Progress in Theoretical Chemistry and Physics
Locul publicării:Dordrecht, Netherlands
ISBN-10: 9048158737
Pagini: 268
Ilustrații: X, 258 p.
Dimensiuni: 155 x 235 x 14 mm
Greutate: 0.39 kg
Ediția:2001
Editura: SPRINGER NETHERLANDS
Colecția Springer
Seria Progress in Theoretical Chemistry and Physics
Locul publicării:Dordrecht, Netherlands
Public țintă
ResearchCuprins
Theoretical Study of Reactions Catalyzed by Acidic Zeolite.- Quantum Chemical Modeling the Location of Extraframework Metal Cations in Zeolites.- Chemical Reactions of Alkanes Catalysed by Zeolites.- Ab Initio Simulations of Zeolite Reactivity.- Modelling of Oxide-Supported Metals.- Elementary Steps of Catalytic Processes on Metallic and Bimetallic Surfaces.- Role of Point Defects 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.