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Theoretical Aspects of Heterogeneous Catalysis
Author(s) -
W. N. Lipscomb,
I. Prigogine,
J. Maruani,
Stephen T. Wilson,
H. Ågren,
David Avnir,
Jerzy Ciosłowski,
Raymond Daudel,
E. K. U. Gross,
Wilfred F. van Gunsteren,
Kei Hirao,
Ivan Hubac̆,
Matthys Levy,
Gulzari Malli,
R. McWeeny,
Paul G. Mezey,
Marco Antônio Chaer Nascimento,
Jacek Rychlewski,
Steven D. Schwartz,
Yves G. Smeyers,
Sándor Suhai,
O. Tapia,
Patrick R. Taylor,
R. Guy Woolley
Publication year - 2001
Publication title -
progress in theoretical chemistry and physics
Language(s) - English
Resource type - Book series
eISSN - 2215-0129
pISSN - 1567-7354
DOI - 10.1007/0-306-47667-3
Subject(s) - subject (documents) , catalysis , computer science , biochemical engineering , nanotechnology , management science , engineering , chemistry , materials science , organic chemistry , world wide web
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. Angyan, 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.

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