Titlebook: Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis; F. Ruette Book 1992 Springer Science+Business Media Dordrecht 1

裁决

978-90-481-4109-8Springer Science+Business Media Dordrecht 1992

的事物

A Generalized Valence Bond View of Chemisorption and Reactions on Transition Metal Surfaces,the varied applications of the method to chemisorption and reaction on transition metal surfaces, and present a discussion of methodological limitations and future directions in applications to surface problems.

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Book 1992talysts which make particular reactions possible. But this understanding presupposes that there exists a body of theory capable of explaining situations not easily accessible to experimental methods and of relating experimental findings among themselves and with theoretical constructs. For these rea

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Reaction Energetics on Transition Metal Surfaces: A Bond-Order Conservation Approach, discuss hydrogenation of CO on Ni, Pd, and Cu and decomposition of HCOOH on transition metal surfaces. It appears that the BOC-MP modeling provides an effective means for exploring chemisorption phenomena and surface reactivity.

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Model Hamiltonian Approach to Adsorption Theory,the widely applied non-orthogonal Anderson Hamiltonian shows that it has some deficiencies of mathematical and physical nature when applied to chemisorption. Model Hamiltonians avoiding these deficiencies and extending the range of physical application are constructed. The description of image force