Theoretical Aspects of Heterogeneous Catalysis by Marco Antonio Volume 8
Free Download Theoretical Aspects of Heterogeneous Catalysis by Marco Antonio Volume 8
Progress in Theoretical Chemistry and Physics
Volume 8
Authors of: Theoretical Aspects of Heterogeneous Catalysis by Marco Antonio Volume 8
Marco Antonio
W.N. Lipscomb
I. Prigogine
J. Maruani
S. Wilson
Table of Contents in Theoretical Aspects of Heterogeneous Catalysis by Marco Antonio Volume 8
Preface
Theoretical Study of Reactions Catalyzed by Acidic Zeolite
X. Rozanska, R.A. van Santen and F. Hutschka
Quantum Chemical Modeling the Location of Extraframework Metal Cations in Zeolites
G.N. Vayssilov
Chemical Reactions of Alkanes Catalyzed by Zeolites
E.A. Furtado and M.A. Chaer Nascimento
Ab Initio Simulations of Zeolites Reactivity
J.G. Ángyán, D. Parsons and Y. Jeanvoine
Modelling of Oxide-Supported Metals
M.Alfredsson, S.T. Bromley and C.R.A. Catlow
Elementary Steps of Catalytic Processes on Metallic and Bimetallic Surfaces
F. Illas, C. Sousa, J.R.B. Gomes, A. Clotet and J.M. Ricart
Role of Point Deffects in the Catalytic Activation of Pd Atoms Supported on the MgO Surface
G. Pacchioni, L. Giordano, A.M. Ferrari, S. Abbet and U. Heiz
The Valency Effect on Reaction Pathways in Heterogeneous
Catalysis : Insight from Density Functional Theory Calculations
A. Michaelaides and P. Hu
The Adsorption of Acetylene and Ethylene on Transition Metal Surfaces
C.G.P.M. Bernardo and J.A.N.F. Gomes
Theoretical Approaches of the Reactivity at MgO (100) and TiO2 (110) Surfaces C. Minot
Subject Index
“Theoretical Aspects of Heterogeneous Catalysis” by Marco Antonio, Volume 8, is a scholarly work that intricately explores various facets of heterogeneous catalysis through a theoretical lens. The preface sets the stage for an in-depth journey into the subject matter, paving the way for a comprehensive examination of catalytic processes. The book places a significant focus on reactions catalyzed by acidic zeolites, employing theoretical studies as a cornerstone to unravel the underlying mechanisms. Quantum chemical modeling is utilized to precisely map the location of extraframework metal cations within zeolite structures, offering crucial insights into their catalytic roles.
A substantial portion of the book delves into the chemical reactions of alkanes catalyzed by zeolites, with ab initio simulations providing a nuanced understanding of zeolites’ reactivity. The exploration extends to the modeling of oxide-supported metals, unraveling the complexities of their catalytic behaviors. Elementary steps in catalytic processes on metallic and bimetallic surfaces are scrutinized, offering a detailed analysis of surface reactions. The role of point defects in the catalytic activation, particularly focusing on Pd atoms supported on the MgO surface, is investigated, adding depth to the understanding of catalytic mechanisms.
The book also investigates the valency effect on reaction pathways in heterogeneous catalysis, leveraging density functional theory calculations to provide insightful perspectives. The adsorption of acetylene and ethylene on transition metal surfaces is thoroughly examined, contributing to a holistic understanding of surface reactions. Theoretical approaches to reactivity at MgO (100) and TiO2 (110) surfaces by C. Minot further enrich the content, presenting valuable insights into heterogeneous catalysis. The inclusion of a subject index enhances the accessibility of the diverse topics covered in this comprehensive volume, making it an invaluable resource for researchers and scholars in the field.
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Free download Theoretical Aspects of Heterogeneous Catalysis by Marco Antonio Volume 8
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