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Theoretical Aspects of Transition Metal Catalysis
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ISBN: 9783540235101 3540235108 354031444X Year: 2005 Publisher: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer,

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Abstract

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.


Digital
Theoretical Aspects of Transition Metal Catalysis
Author:
ISBN: 9783540314448 Year: 2005 Publisher: Berlin Heidelberg Springer-Verlag GmbH

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Book
The chemical bond
Authors: ---
ISBN: 9783527333141 9783527333158 Year: 2014 Publisher: Weinheim Wiley-VCH

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Book
Theoretical Aspects of Transition Metal Catalysis : -/-
Authors: ---
ISBN: 9783540314448 Year: 2005 Publisher: Berlin Heidelberg Springer Berlin Heidelberg

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Abstract

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.


Book
Noble gas and high temperature chemistry
Authors: --- --- --- --- --- et al.
ISBN: 3540521240 0387521240 3540468803 Year: 1990 Publisher: Berlin Springer


Book
Aromaticity and antiaromaticity : concepts and applications
Authors: --- --- --- ---
ISBN: 9781119085898 9781119085928 Year: 2022 Publisher: Chichester : Wiley,

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Abstract

"Aromaticity and antiaromaticity : concepts and applications" delivers a comprehensive exploration of the evolution and critical aspects of aromaticity. The book examines the new global criteria used to evaluate aromaticity, including the Nucleus Independent Chemical Shift (NICS) index and the electronic indices based on electronic properties. Additional discussions of inorganic aromatic compounds developed in this century, which give rise to new concepts like multifold aromaticity, are included. Three-dimensional aromaticity found in fullerenes and nanotubes, Möbius aromaticity present in some annulenes, and excited state aromaticity are explored as well. This volume explores the geometrical, electronic, magnetic, and thermodynamic characteristics of aromatic and antiaromatic compounds and their reactivity properties.

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