Theoretical Aspects of Transition Metal Catalysis

Theoretical Aspects of Transition Metal Catalysis
Author: Gernot Frenking
Publisher: Springer Science & Business Media
Total Pages: 284
Release: 2005-06-23
Genre: Science
ISBN: 9783540235101
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Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of chemical reactions are catalyzed by transition metal compounds. Many efforts are being made by industry and academia to find new and more efficient catalysts for chemical processes. Transition metals play a prominent role in catalytic research because they have been proven to show an enormous diversity in lowering the activation barrier for chemical reactions. For many years, the search for new catalysts was carried out by trial and error, which was costly and time consuming. The understanding of the mechanism of the catalytic process is often not very advanced because it is difficult to study the elementary steps of the catalysis with experimental techniques. The development of modern quantum chemical methods for calculating possible intermediates and transition states was a breakthrough in gaining an understanding of the reaction pathways of transition metal catalyzed reactions. This volume, organized into eight chapters written by leading scientists in the field, illustrates the progress made during the last decade. The reader will obtain a deep insight into the present state of quantum chemical research in transition metal catalysis.

Surface Properties, Volume 95

Surface Properties, Volume 95
Author: Ilya Prigogine
Publisher: John Wiley & Sons
Total Pages: 447
Release: 2009-09-09
Genre: Science
ISBN: 0470142073
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The study of surfaces has experienced dramatic growth over the past decade. Now, the editors of the internationally celebrated series Advances in Chemical Physics have brought together in this self-contained, special topic volume contributions from leading researchers in the field treating some of the most crucial aspects of the experimental and theoretical study of surfaces. This work delves into such core issues as: * Kinetics and dynamics of hydrogen adsorption on silicon surfaces. * Potential energy surfaces of transition- metal-catalyzed chemical reactions. * High-resolution helium atom scattering as a proof of surface vibrations. * Ordering and phase transitions in adsorbed monolayers of diatomic molecules. * The influence of dimensionality on static and dynamic properties of a system. * New applications to fields as varied as catalysts and the passage of molecules through membranes. This valuable resource provides important insights into the current state of knowledge about surface properties. Prigogine and Rice's latest work will stimulate the imagination and motivate the exploration of other aspects of this fascinating subject.

Theoretical Geochemistry

Theoretical Geochemistry
Author: John A. Tossell
Publisher: Oxford University Press
Total Pages: 529
Release: 1992-03-19
Genre: Science
ISBN: 0195044037
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This work is based on the observation that further major advances in geochemistry, particularly in understanding the rules that govern the ways in which elements come together to form minerals and rocks, will require the application of the theories of quantum mechanics. The book therefore outlines this theoretical background and discusses the models used to describe bonding in geochemical systems. It is the first book to describe and critically review the application of quantum mechanical theories to minerals and geochemical systems. The book consolidates valuable findings from chemistry and materials science as well as mineralogy and geochemistry, and the presentation has relevance to professionals in a wide range of disciplines. Experimental techniques are surveyed, but the emphasis is on applying theoretical tools to various groups of minerals: the oxides, silicates, carbonates, borates, and sulfides. Other topics dealt with in depth include structure, stereochemistry, bond strengths and stabilities of minerals, various physical properties, and the overall geochemical distribution of the elements.

Novel Materials for Carbon Dioxide Mitigation Technology

Novel Materials for Carbon Dioxide Mitigation Technology
Author: Bryan Morreale
Publisher: Elsevier
Total Pages: 413
Release: 2015-06-01
Genre: Technology & Engineering
ISBN: 0444632611
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Materials for Carbon Dioxide Mitigation Technology offers expert insight and experience from recognized authorities in advanced material development in carbon mitigation technology and constitutes a comprehensive guide to the selection and design of a wide range of solvent/sorbent/catalyst used by scientists globally. It appeals to chemical scientists, material scientists and engineers, energy researchers, and environmental scientists from academia, industry, and government in their research directed toward greener, more efficient carbon mitigation processes. - Emphasizes material development for carbon mitigation technologies rather than regulations - Provides a fundamental understanding of the underpinning science as well as technological approaches to implement carbon capture, utilization and storage technologies - Introduces the driving force behind novel materials, their performance and applications for carbon dioxide mitigation - Contains figures, tables and an abundance of examples clearly explaining the development, characterization and evaluation of novel carbon mitigation materials - Includes hundreds of citations drawing on the most recent published works on the subject - Provides a wealth of real-world examples, illustrating how to bridge nano-scale materials to bulk carbon mitigation properties

Theoretical Chemistry Accounts

Theoretical Chemistry Accounts
Author: Christopher Cramer
Publisher: Springer Science & Business Media
Total Pages: 205
Release: 2013-11-11
Genre: Science
ISBN: 3662104210
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For the New Century Issue of the journal "Theroretical Chemistry Accounts" the advisory editors identified papers from the first century of theoretical chemistry and discussed their importance for the twentieth century with an eye towards the twenty-first century. Sixty-six such perspectives are published in the New Century Issue. To make this unique collection available to younger scientists for entertaining reading and re-reading of the original publications, the publisher decided to reprint a special edition of the issue.

The Chemistry of the Catalyzed Hydrogenation of Carbon Monoxide

The Chemistry of the Catalyzed Hydrogenation of Carbon Monoxide
Author: G. Henrici-Olive
Publisher: Springer Science & Business Media
Total Pages: 239
Release: 2012-12-06
Genre: Science
ISBN: 3642696627
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During the oil embargo, in the winter 1973174, parts of Western Europe present ed an almost war-like aspect on Saturdays and Sundays: no traffic on the high ways, no crowds at ski resorts and other weekend entertainment places, no gaso line at the pumps. Living and teaching then in that part of the world, and discussing the situa tion with our students, we came to the conclusion that it would be timely to col lect the fine chemistry already known at the time in the field of conversion of coal to gasoline and other chemicals, and by this way help to draw the attention to this important alternative to crude oil. The idea of this book was born. The energy shock of the early seventies has been healthy and of great conse quences in chemistry. Large amounts of research money have been put to work since, and our knowledge of the possibilities and limitations of coal-based chemistry has increased enormously. During several years it appeared inap propriate to write a monograph about a topic which was in the midst of such an impetuous development. Nevertheless, we collected, and critically selected, the upcoming work as it appeared in the literature, and also tried to provide some modest input ourselves. Now, ten years later, the situation seems to be settled to a certain degree.