Steric Effects in the Chemisorption of Vibrationally Excited Methane on Nickel, Bruce L. Yoder

Автор: J. R. Smith
Название: Theory of Chemisorption
ISBN: 3642814336 ISBN-13(EAN): 9783642814334
Издательство: Springer
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Описание: With contributions by numerous experts

Автор: R.M. Lambert; Gianfranco Pacchioni
Название: Chemisorption and Reactivity on Supported Clusters and Thin Films:
ISBN: 0792344480 ISBN-13(EAN): 9780792344483
Издательство: Springer
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Описание: Heterogeneous catalysis provides the backbone of the world`s chemical and oil industries. This volume describes experimental and theoretical approaches to the surface chemistry and catalytic behaviour of metals, metal oxides and metal/metal oxide systems.

Автор: F. Ruette
Название: Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis
ISBN: 079231543X ISBN-13(EAN): 9780792315438
Издательство: Springer
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Описание: In this book, a unified survey of the most important methods in theoretical chemistry applied to reactions and processes that occur on transition metal surfaces is presented together with a discussion of their advantages and limitations.

Автор: T. Wolkenstein
Название: Electronic Processes on Semiconductor Surfaces during Chemisorption
ISBN: 0306110296 ISBN-13(EAN): 9780306110290
Издательство: Springer
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Описание: The instability of these properties and their uncon- trollable alterations with temperature and under the influence of environmental conditions result in a lack of stability in the performance of semiconductor devices, hence the high percentage of waste in their industrial production.

Автор: Sydney G. Davison; Kenneth W. Sulston
Название: Green-Function Theory of Chemisorption
ISBN: 9400794312 ISBN-13(EAN): 9789400794313
Издательство: Springer
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Описание: Because of its importance in such areas as catalysis and electronic-device fabrication, the subject of chemisorption is of interest to a wide range of surfacists in physics, chemistry, materials science, as well as chemical and electronic engineering.

Автор: A.T. Balaban; A. Chiriac; I. Motoc; Z. Simon
Название: Steric Fit in Quantitative Structure-Activity Relations
ISBN: 3540097554 ISBN-13(EAN): 9783540097556
Издательство: Springer
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Описание: Although the importance of steric fit for receptor-effector 1 interactions was recognized since Emil Fischer proposed his "lock and key" theory, the whole area of steric properties is still in a very 2-4 early stage of development. We have a fairly good idea about el- tronic and hydrophobic parameters, but it is not easy to describe ste- ric shapes of molecules without a large number of data. There are se- veral cases of good QSAR's developed for rather large series of mole- 5 cules without steric parameters - for example see papers by Hansch, 6 or Franke, but the state of steric parameters is nevertheless one of the most important drawbacks, especially concerning the ability of en- compassing, within a single QSAR, molecules of different shapes and stereoisomers. From today's steric parameters, one may mention the 7 Taft parameters E ' which gave good results in organic chemistry, the S 8 10 ra th er cum b ersome way 0 f measurIng - s h ape d'ff I ere h ces 0 f Amoore - and, 11 12 AllInger, and the L, B -B parameters of Verloop 1 4 The work described here consists of two types of approaches to the steric fit problem. The first approach consists of developing new parameters to describe different characteristics of the molecular shape (i. e., branching, bulkiness); this is done by means of topological in- dices.