Last edited by Zulutaur
Tuesday, August 11, 2020 | History

6 edition of Theoretical Aspects of Transition Metal Catalysis found in the catalog.

Theoretical Aspects of Transition Metal Catalysis

by Gernot Frenking

  • 122 Want to read
  • 0 Currently reading

Published by Springer .
Written in English

    Subjects:
  • Organometallic chemistry,
  • Science,
  • Science/Mathematics,
  • Chemistry - Inorganic,
  • Chemistry - Organic,
  • Chemistry - Physical & Theoretical,
  • Quantum Chemistry,
  • Science / Chemistry / Inorganic,
  • Theoretical Chemistry,
  • Catalyseurs áa base de mâetaux de transition,
  • Catalysis,
  • Transition metal catalysts

  • Edition Notes

    Topics in Organometallic Chemistry

    The Physical Object
    FormatHardcover
    Number of Pages266
    ID Numbers
    Open LibraryOL9055076M
    ISBN 103540235108
    ISBN 109783540235101

    Theoretical studies of the possibility of forming ammonia electrochemically at ambient temperature and pressure are presented. Density functional theory calculations were used in combination with the computational standard hydrogen electrode to calculate the free energy profile for the reduction of N 2 admolecules and N adatoms on several close-packed and stepped transition metal surfaces in. Buy Theoretical Aspects of Heterogeneous Catalysis (Progress in Theoretical Chemistry & Physics) (Progress in Theoretical Chemistry and Physics) by Nascimento, M.A. (ISBN: ) from Amazon's Book Store. Everyday low prices and free delivery on eligible : Hardcover.

    The new edition of this bestselling text continues to provide chemistry students and researchers with vital information on organometallic compounds, their preparation, and use in synthesis. It explores the fundamentals of the field and its modern applications. Includes end-of-chapter problems and their solutions Has up-to-date examples of fundamental reaction steps and emphasis on key topics. N-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis features all catalytic reactions enabled by N-heterocyclic carbenes (NHCs), either directly as organocatalysts or as ligands for transition metal catalysts. An explosion in the use of NHCs has been reported in the literature during the past seven years making this comprehensive overview highly apropos.

    Theoretical Aspects of Transition Metal Catalysis. Topics in Organometallic Chemistry, vol. 12, Springer (). Cheng H. et al.. Investigation of Nitriding Mechanism at Transition Metal Surfaces: NH 3 Adsorption and Decomposition on Fe(), Ni(), and Cr(). J. Phys. Chem. 99, – (). Xin H., Vojvodic H., Voss J., Nørskov J. The transit from early cycloadditions and alkyne couplings as ring-closing steps to very recent 3d metal-catalyzed macrocyclization methods is highlighted. Similarly, the new trends in decarboxylative radical macrocyclizations and the interplay between photoredox and transition metal catalysis are included.


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Theoretical Aspects of Transition Metal Catalysis by Gernot Frenking Download PDF EPUB FB2

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 : Hardcover.

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.

Theoretical Aspects of Transition Metal Catalysis: /- Djamaladdin G. Musaev, Keiji Morokuma (auth.), Gernot Frenking (eds.) Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of chemical reactions are catalyzed by transition metal compounds.

Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of chemical reactions are catalyzed by transition metal compounds.

Rating: (not yet rated) 0 with reviews - Be the first. Theoretical Aspects of Transition Metal Catalysis. Topics in Organometallic Chemistry, 12 Edited by Gernot Frenking (Philipps-Universität Marburg).

Springer: Berlin, Heidelberg, New York. x + pp. $ ISBN Starbook Library Online. Advances in Web-Based Learning - ICWL Third International Conference, Beijing, China, August, Proceedings (Lecture Notes in Computer Science). Transition metal catalysis, being critical to nearly all aspects of the modern industrial world, is the focus of a series of theoretical studies which seek to elucidate the fundamental and electronic origins of enhanced chemical activity and selectivity.

The application of density functional theory on extended single metal and alloyed surfaces, supported single metal atoms, and gas phase Author: Ryan S. Johnson. Theoretical Aspects of Transition Metal Catalysis - Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of.

This book aims to illustrate and discuss the subject of heterogeneous catalysis and to show the current capabilities of the theoretical and computational methods for studying the various steps (diffusion, adsorption, chemical reaction) of heterogeneous catalytic process involving zeolites, metal oxides, and transition metal surfaces.

Theoretical aspects of transition metal catalysis. [G Frenking; D V Deubel;] -- AnnotationTransition metal catalysis belongs to the most important chemical research areas because an ubiquitous number of chemical reactions are catalyzed by transition metal compounds.

Transition Metal Reagents and Catalysts combines the varied applications of transition metal complexes in a unique and timely book in this rapidly advancing area of organic synthesis.

This text is an easily understandable and enjoyable read for organic chemists who are not yet familiar with organo-transition metal chemistry.

Periodic density functional theory calculations are employed to determine the reaction energetics of formic acid decomposition on Ag, Cu, Pd, Pt, and Rh surfaces. We also extend the study to other transition-metal surfaces by scaling the adsorption energies of the reaction species with two independent descriptors: CO and OH adsorption energies.

A microkinetic model is then developed to Cited by: Request PDF | Theoretical Aspects of Heterogeneous Catalysis | Heterogeneous catalysis is a fascinating and complex subject of utmost importance in the present day. The book presents the historical, theoretical, and practical aspects of metal oxide-based heterogeneous catalysis.

Metal Oxides in Heterogeneous Catalysis deals with fundamental information on heterogeneous catalysis, including reaction mechanisms and kinetics is also a focus on the classification of metal oxides used as.

Theoretical aspects of adsorption and heterogeneous catalysis. Author links open overlay panel B.I. Lundqvist a b. including heterogeneous catalysis, is developing. In this way the variations of reaction rates along the transition-metal series, variations between different faces of the same substrate, and the roles of defects, like Cited by: THEORETICAL ASPECTS OF HETEROGENEOUS CATALYSIS R.A.

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37 specialists from IFP Energies nouvelles, CNRS, or. This book aims to illustrate and discuss the subject of heterogeneous catalysis and to show the current capabilities of the theoretical and computational methods for studying the various steps (diffusion, adsorption, chemical reaction) of heterogeneous catalytic process involving zeolites, metal oxides, and transition metal cturer: Springer.

Heterogeneous catalysis is a fascinating and complex subject of utmost importance in the present day. Its immense technological and economical importance and the inherent complexity of the catalytic phenomena have stimulated theoretical and experimental studies by a broad spectrum of scientists, Price: $.

The most common and thoroughly-studied of these is the dissociation of hydrogen which takes place on the surface of most transition metals. The single 1 s electron of each hydrogen atom coordinates with the d orbitals of the metal, forming a pair of .Transition Metal Oxides: Surface Chemistry and Catalysis - Ebook written by H.H.

Kung. Read this book using Google Play Books app on your PC, android, iOS devices. Download for offline reading, highlight, bookmark or take notes while you read Transition Metal Oxides: Surface Chemistry and Catalysis.5/5(1).Purchase Alkene Polymerization Reactions with Transition Metal Catalysts, Volume - 1st Edition.

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